7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine

C80H86Cl3N21O4 — CID 167538301

IUPAC7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine
SMILESCC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)NC4CCC4)c3n2)c2cc(Cl)cnc21.CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c2cc(Cl)cnc21.CNc1cc(-c2cn(C(C)C)c3ncc(Cl)cc23)nc2c(C(=O)NC3CCC3)cnn12.NC1CCC1
InChIInChI=1S/C29H30ClN7O.C25H23ClN6O2.C22H24ClN7O.C4H9N/c1-18(2)36-17-24(22-12-20(30)14-31-27(22)36)25-13-26(35(3)16-19-8-5-4-6-9-19)37-28(34-25)23(15-32-37)29(38)33-21-10-7-11-21;1-15(2)31-14-20(18-9-17(26)11-27-23(18)31)21-10-22(30(3)13-16-7-5-4-6-8-16)32-24(29-21)19(12-28-32)25(33)34;1-12(2)29-11-17(15-7-13(23)9-25-20(15)29)18-8-19(24-3)30-21(28-18)16(10-26-30)22(31)27-14-5-4-6-14;5-4-2-1-3-4/h4-6,8-9,12-15,17-18,21H,7,10-11,16H2,1-3H3,(H,33,38);4-12,14-15H,13H2,1-3H3,(H,33,34);7-12,14,24H,4-6H2,1-3H3,(H,27,31);4H,1-3,5H2
InChIKeyAVMJABRZLPWOGV-UHFFFAOYSA-N
MW1512.07 g/mol
LogP16.02
Rot. Bonds18

About 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine

7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine (PubChem CID 167538301) has the molecular formula C80H86Cl3N21O4 and a molecular weight of 1512.07 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine
PubChem CID167538301
Molecular FormulaC80H86Cl3N21O4
Molecular Weight1512.07 g/mol
Exact Mass1509.62
IUPAC Name7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine
SMILESCC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)NC4CCC4)c3n2)c2cc(Cl)cnc21.CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c2cc(Cl)cnc21.CNc1cc(-c2cn(C(C)C)c3ncc(Cl)cc23)nc2c(C(=O)NC3CCC3)cnn12.NC1CCC1
InChIInChI=1S/C29H30ClN7O.C25H23ClN6O2.C22H24ClN7O.C4H9N/c1-18(2)36-17-24(22-12-20(30)14-31-27(22)36)25-13-26(35(3)16-19-8-5-4-6-9-19)37-28(34-25)23(15-32-37)29(38)33-21-10-7-11-21;1-15(2)31-14-20(18-9-17(26)11-27-23(18)31)21-10-22(30(3)13-16-7-5-4-6-8-16)32-24(29-21)19(12-28-32)25(33)34;1-12(2)29-11-17(15-7-13(23)9-25-20(15)29)18-8-19(24-3)30-21(28-18)16(10-26-30)22(31)27-14-5-4-6-14;5-4-2-1-3-4/h4-6,8-9,12-15,17-18,21H,7,10-11,16H2,1-3H3,(H,33,38);4-12,14-15H,13H2,1-3H3,(H,33,34);7-12,14,24H,4-6H2,1-3H3,(H,27,31);4H,1-3,5H2
InChIKeyAVMJABRZLPWOGV-UHFFFAOYSA-N
XLogP16.02
TPSA284.06 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.07
LogP ≤ 516.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine?
The IUPAC name of 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine (CID 167538301) is 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine.
What is the SMILES notation for 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine?
The canonical SMILES for 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine is CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)NC4CCC4)c3n2)c2cc(Cl)cnc21.CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c2cc(Cl)cnc21.CNc1cc(-c2cn(C(C)C)c3ncc(Cl)cc23)nc2c(C(=O)NC3CCC3)cnn12.NC1CCC1.
What is the InChIKey of 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine?
The InChIKey is AVMJABRZLPWOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN7O.C25H23ClN6O2.C22H24ClN7O.C4H9N/c1-18(2)36-17-24(22-12-20(30)14-31-27(22)36)25-13-26(35(3)16-19-8-5-4-6-9-19)37-28(34-25)23(15-32-37)29(38)33-21-10-7-11-21;1-15(2)31-14-20(18-9-17(26)11-27-23(18)31)21-10-22(30(3)13-16-7-5-4-6-8-16)32-24(29-21)19(12-28-32)25(33)34;1-12(2)29-11-17(15-7-13(23)9-25-20(15)29)18-8-19(24-3)30-21(28-18)16(10-26-30)22(31)27-14-5-4-6-14;5-4-2-1-3-4/h4-6,8-9,12-15,17-18,21H,7,10-11,16H2,1-3H3,(H,33,38);4-12,14-15H,13H2,1-3H3,(H,33,34);7-12,14,24H,4-6H2,1-3H3,(H,27,31);4H,1-3,5H2.
What are the key properties of 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine?
7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine has a molecular weight of 1512.07 g/mol, XLogP of 16.02, 18 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-cyclobutyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutanamine is sourced from PubChem (CID 167538301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).