N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

C73H80ClFN26O8 — CID 157459553

IUPACN-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc(Cl)c3OC)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCCN4C)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4cccnc34)nc12
InChIInChI=1S/C19H23N7O2.C19H19N7O.C18H19FN6O3.C17H19ClN6O2/c1-4-17(27)23-13-11-21-26-16(20-2)10-15(24-19(13)26)22-12-6-5-7-14-18(12)28-9-8-25(14)3;1-3-17(27)24-14-11-22-26-16(20-2)10-15(25-19(14)26)23-13-8-4-6-12-7-5-9-21-18(12)13;1-3-16(26)23-12-9-21-25-15(20-2)8-14(24-18(12)25)22-11-6-10(19)7-13-17(11)28-5-4-27-13;1-4-15(25)22-12-9-20-24-14(19-2)8-13(23-17(12)24)21-11-7-5-6-10(18)16(11)26-3/h5-7,10-11,20H,4,8-9H2,1-3H3,(H,22,24)(H,23,27);4-11,20H,3H2,1-2H3,(H,23,25)(H,24,27);6-9,20H,3-5H2,1-2H3,(H,22,24)(H,23,26);5-9,19H,4H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyBTTLKHXYZXYWMM-UHFFFAOYSA-N
MW1504.07 g/mol
LogP12.40
Rot. Bonds21

About N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (PubChem CID 157459553) has the molecular formula C73H80ClFN26O8 and a molecular weight of 1504.07 g/mol. Its IUPAC name is N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
PubChem CID157459553
Molecular FormulaC73H80ClFN26O8
Molecular Weight1504.07 g/mol
Exact Mass1502.63
IUPAC NameN-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc(Cl)c3OC)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCCN4C)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4cccnc34)nc12
InChIInChI=1S/C19H23N7O2.C19H19N7O.C18H19FN6O3.C17H19ClN6O2/c1-4-17(27)23-13-11-21-26-16(20-2)10-15(24-19(13)26)22-12-6-5-7-14-18(12)28-9-8-25(14)3;1-3-17(27)24-14-11-22-26-16(20-2)10-15(25-19(14)26)23-13-8-4-6-12-7-5-9-21-18(12)13;1-3-16(26)23-12-9-21-25-15(20-2)8-14(24-18(12)25)22-11-6-10(19)7-13-17(11)28-5-4-27-13;1-4-15(25)22-12-9-20-24-14(19-2)8-13(23-17(12)24)21-11-7-5-6-10(18)16(11)26-3/h5-7,10-11,20H,4,8-9H2,1-3H3,(H,22,24)(H,23,27);4-11,20H,3H2,1-2H3,(H,23,25)(H,24,27);6-9,20H,3-5H2,1-2H3,(H,22,24)(H,23,26);5-9,19H,4H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyBTTLKHXYZXYWMM-UHFFFAOYSA-N
XLogP12.40
TPSA386.45 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001504.07
LogP ≤ 512.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)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-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The IUPAC name of N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (CID 157459553) is N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is CCC(=O)Nc1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc(Cl)c3OC)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCCN4C)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4cccnc34)nc12.
What is the InChIKey of N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The InChIKey is BTTLKHXYZXYWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2.C19H19N7O.C18H19FN6O3.C17H19ClN6O2/c1-4-17(27)23-13-11-21-26-16(20-2)10-15(24-19(13)26)22-12-6-5-7-14-18(12)28-9-8-25(14)3;1-3-17(27)24-14-11-22-26-16(20-2)10-15(25-19(14)26)23-13-8-4-6-12-7-5-9-21-18(12)13;1-3-16(26)23-12-9-21-25-15(20-2)8-14(24-18(12)25)22-11-6-10(19)7-13-17(11)28-5-4-27-13;1-4-15(25)22-12-9-20-24-14(19-2)8-13(23-17(12)24)21-11-7-5-6-10(18)16(11)26-3/h5-7,10-11,20H,4,8-9H2,1-3H3,(H,22,24)(H,23,27);4-11,20H,3H2,1-2H3,(H,23,25)(H,24,27);6-9,20H,3-5H2,1-2H3,(H,22,24)(H,23,26);5-9,19H,4H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide has a molecular weight of 1504.07 g/mol, XLogP of 12.40, 21 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 157459553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).