N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C101H110FN35O5 — CID 157312218

IUPACN-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncc(C)cc23)nc2c(C(N)=O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3CCC3)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(N)=O)cnn12
InChIInChI=1S/C22H25N7O.C21H22FN7O.C21H23N7O.C19H21N7O.C18H19N7O/c1-13(2)28-12-17(15-8-5-9-24-20(15)28)18-10-19(23-3)29-21(27-18)16(11-25-29)22(30)26-14-6-4-7-14;1-11(2)28-10-14(12-5-4-6-24-19(12)28)16-8-18(23-3)29-20(26-16)13(9-25-29)21(30)27-17-7-15(17)22;1-12(2)27-11-16(14-5-4-8-23-19(14)27)17-9-18(22-3)28-20(26-17)15(10-24-28)21(29)25-13-6-7-13;1-10(2)25-9-14(12-5-11(3)7-22-18(12)25)15-6-16(21-4)26-19(24-15)13(8-23-26)17(20)27;1-10(2)24-9-13(11-5-4-6-21-17(11)24)14-7-15(20-3)25-18(23-14)12(8-22-25)16(19)26/h5,8-14,23H,4,6-7H2,1-3H3,(H,26,30);4-6,8-11,15,17,23H,7H2,1-3H3,(H,27,30);4-5,8-13,22H,6-7H2,1-3H3,(H,25,29);5-10,21H,1-4H3,(H2,20,27);4-10,20H,1-3H3,(H2,19,26)/t;15-,17+;;;/m.1.../s1
InChIKeyBDDZXJKIPMSCAN-HCWQQJOXSA-N
MW1913.23 g/mol
LogP15.36
Rot. Bonds23

About N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157312218) has the molecular formula C101H110FN35O5 and a molecular weight of 1913.23 g/mol. Its IUPAC name is N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157312218
Molecular FormulaC101H110FN35O5
Molecular Weight1913.23 g/mol
Exact Mass1911.94
IUPAC NameN-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncc(C)cc23)nc2c(C(N)=O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3CCC3)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(N)=O)cnn12
InChIInChI=1S/C22H25N7O.C21H22FN7O.C21H23N7O.C19H21N7O.C18H19N7O/c1-13(2)28-12-17(15-8-5-9-24-20(15)28)18-10-19(23-3)29-21(27-18)16(11-25-29)22(30)26-14-6-4-7-14;1-11(2)28-10-14(12-5-4-6-24-19(12)28)16-8-18(23-3)29-20(26-16)13(9-25-29)21(30)27-17-7-15(17)22;1-12(2)27-11-16(14-5-4-8-23-19(14)27)17-9-18(22-3)28-20(26-17)15(10-24-28)21(29)25-13-6-7-13;1-10(2)25-9-14(12-5-11(3)7-22-18(12)25)15-6-16(21-4)26-19(24-15)13(8-23-26)17(20)27;1-10(2)24-9-13(11-5-4-6-21-17(11)24)14-7-15(20-3)25-18(23-14)12(8-22-25)16(19)26/h5,8-14,23H,4,6-7H2,1-3H3,(H,26,30);4-6,8-11,15,17,23H,7H2,1-3H3,(H,27,30);4-5,8-13,22H,6-7H2,1-3H3,(H,25,29);5-10,21H,1-4H3,(H2,20,27);4-10,20H,1-3H3,(H2,19,26)/t;15-,17+;;;/m.1.../s1
InChIKeyBDDZXJKIPMSCAN-HCWQQJOXSA-N
XLogP15.36
TPSA473.68 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms142
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001913.23
LogP ≤ 515.36
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157312218) is N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3ncc(C)cc23)nc2c(C(N)=O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NC3CCC3)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(N)=O)cnn12.
What is the InChIKey of N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BDDZXJKIPMSCAN-HCWQQJOXSA-N. The full InChI is InChI=1S/C22H25N7O.C21H22FN7O.C21H23N7O.C19H21N7O.C18H19N7O/c1-13(2)28-12-17(15-8-5-9-24-20(15)28)18-10-19(23-3)29-21(27-18)16(11-25-29)22(30)26-14-6-4-7-14;1-11(2)28-10-14(12-5-4-6-24-19(12)28)16-8-18(23-3)29-20(26-16)13(9-25-29)21(30)27-17-7-15(17)22;1-12(2)27-11-16(14-5-4-8-23-19(14)27)17-9-18(22-3)28-20(26-17)15(10-24-28)21(29)25-13-6-7-13;1-10(2)25-9-14(12-5-11(3)7-22-18(12)25)15-6-16(21-4)26-19(24-15)13(8-23-26)17(20)27;1-10(2)24-9-13(11-5-4-6-21-17(11)24)14-7-15(20-3)25-18(23-14)12(8-22-25)16(19)26/h5,8-14,23H,4,6-7H2,1-3H3,(H,26,30);4-6,8-11,15,17,23H,7H2,1-3H3,(H,27,30);4-5,8-13,22H,6-7H2,1-3H3,(H,25,29);5-10,21H,1-4H3,(H2,20,27);4-10,20H,1-3H3,(H2,19,26)/t;15-,17+;;;/m.1.../s1.
What are the key properties of N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1913.23 g/mol, XLogP of 15.36, 23 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157312218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).