N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

C106H127FN36O11S — CID 158925722

IUPACN-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(N(C)c3ccccc3)nc12.CCC(=O)Nc1cnn2c(NC)cc(NC3CCCC3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCC4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3CCCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCCC4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3S(C)(=O)=O)nc12
InChIInChI=1S/C19H21FN6O2.2C19H22N6O2.C17H20N6O3S.C17H20N6O.C15H22N6O/c1-3-17(27)24-14-10-22-26-16(21-2)9-15(25-19(14)26)23-13-8-12(20)7-11-5-4-6-28-18(11)13;1-3-18(26)23-14-11-21-25-17(20-2)10-16(24-19(14)25)22-13-7-4-8-15-12(13)6-5-9-27-15;1-3-17(26)23-14-11-21-25-16(20-2)10-15(24-19(14)25)22-13-8-4-6-12-7-5-9-27-18(12)13;1-4-16(24)21-12-10-19-23-15(18-2)9-14(22-17(12)23)20-11-7-5-6-8-13(11)27(3,25)26;1-4-16(24)20-13-11-19-23-14(18-2)10-15(21-17(13)23)22(3)12-8-6-5-7-9-12;1-3-14(22)19-11-9-17-21-13(16-2)8-12(20-15(11)21)18-10-6-4-5-7-10/h7-10,21H,3-6H2,1-2H3,(H,23,25)(H,24,27);4,7-8,10-11,20H,3,5-6,9H2,1-2H3,(H,22,24)(H,23,26);4,6,8,10-11,20H,3,5,7,9H2,1-2H3,(H,22,24)(H,23,26);5-10,18H,4H2,1-3H3,(H,20,22)(H,21,24);5-11,18H,4H2,1-3H3,(H,20,24);8-10,16H,3-7H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyJIKKVSMRUHTRSK-UHFFFAOYSA-N
MW2132.49 g/mol
LogP17.33
Rot. Bonds31

About N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (PubChem CID 158925722) has the molecular formula C106H127FN36O11S and a molecular weight of 2132.49 g/mol. Its IUPAC name is N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
PubChem CID158925722
Molecular FormulaC106H127FN36O11S
Molecular Weight2132.49 g/mol
Exact Mass2131.02
IUPAC NameN-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(N(C)c3ccccc3)nc12.CCC(=O)Nc1cnn2c(NC)cc(NC3CCCC3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCC4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3CCCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCCC4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3S(C)(=O)=O)nc12
InChIInChI=1S/C19H21FN6O2.2C19H22N6O2.C17H20N6O3S.C17H20N6O.C15H22N6O/c1-3-17(27)24-14-10-22-26-16(21-2)9-15(25-19(14)26)23-13-8-12(20)7-11-5-4-6-28-18(11)13;1-3-18(26)23-14-11-21-25-17(20-2)10-16(24-19(14)25)22-13-7-4-8-15-12(13)6-5-9-27-15;1-3-17(26)23-14-11-21-25-16(20-2)10-15(24-19(14)25)22-13-8-4-6-12-7-5-9-27-18(12)13;1-4-16(24)21-12-10-19-23-15(18-2)9-14(22-17(12)23)20-11-7-5-6-8-13(11)27(3,25)26;1-4-16(24)20-13-11-19-23-14(18-2)10-15(21-17(13)23)22(3)12-8-6-5-7-9-12;1-3-14(22)19-11-9-17-21-13(16-2)8-12(20-15(11)21)18-10-6-4-5-7-10/h7-10,21H,3-6H2,1-2H3,(H,23,25)(H,24,27);4,7-8,10-11,20H,3,5-6,9H2,1-2H3,(H,22,24)(H,23,26);4,6,8,10-11,20H,3,5,7,9H2,1-2H3,(H,22,24)(H,23,26);5-10,18H,4H2,1-3H3,(H,20,22)(H,21,24);5-11,18H,4H2,1-3H3,(H,20,24);8-10,16H,3-7H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyJIKKVSMRUHTRSK-UHFFFAOYSA-N
XLogP17.33
TPSA553.14 Ų
H-Bond Donors17
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002132.49
LogP ≤ 517.33
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1041

Analyze N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The IUPAC name of N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (CID 158925722) is N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is CCC(=O)Nc1cnn2c(NC)cc(N(C)c3ccccc3)nc12.CCC(=O)Nc1cnn2c(NC)cc(NC3CCCC3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCC4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3CCCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCCC4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3S(C)(=O)=O)nc12.
What is the InChIKey of N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The InChIKey is JIKKVSMRUHTRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2.2C19H22N6O2.C17H20N6O3S.C17H20N6O.C15H22N6O/c1-3-17(27)24-14-10-22-26-16(21-2)9-15(25-19(14)26)23-13-8-12(20)7-11-5-4-6-28-18(11)13;1-3-18(26)23-14-11-21-25-17(20-2)10-16(24-19(14)25)22-13-7-4-8-15-12(13)6-5-9-27-15;1-3-17(26)23-14-11-21-25-16(20-2)10-15(24-19(14)25)22-13-8-4-6-12-7-5-9-27-18(12)13;1-4-16(24)21-12-10-19-23-15(18-2)9-14(22-17(12)23)20-11-7-5-6-8-13(11)27(3,25)26;1-4-16(24)20-13-11-19-23-14(18-2)10-15(21-17(13)23)22(3)12-8-6-5-7-9-12;1-3-14(22)19-11-9-17-21-13(16-2)8-12(20-15(11)21)18-10-6-4-5-7-10/h7-10,21H,3-6H2,1-2H3,(H,23,25)(H,24,27);4,7-8,10-11,20H,3,5-6,9H2,1-2H3,(H,22,24)(H,23,26);4,6,8,10-11,20H,3,5,7,9H2,1-2H3,(H,22,24)(H,23,26);5-10,18H,4H2,1-3H3,(H,20,22)(H,21,24);5-11,18H,4H2,1-3H3,(H,20,24);8-10,16H,3-7H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide has a molecular weight of 2132.49 g/mol, XLogP of 17.33, 31 rotatable bonds, 17 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopentylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(2-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 158925722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).