N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide

C30H39N11O2 — CID 167444214

IUPACN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1Nc1nn(C)c2nc(Nc3ccc(N4CCOCC4)nc3)ncc12
InChIInChI=1S/C30H39N11O2/c1-20-24(16-21(17-32-20)28(42)31-9-11-41-10-5-8-30(41,2)3)36-26-23-19-34-29(37-27(23)39(4)38-26)35-22-6-7-25(33-18-22)40-12-14-43-15-13-40/h6-7,16-19H,5,8-15H2,1-4H3,(H,31,42)(H,36,38)(H,34,35,37)
InChIKeyHSASMYCJAHXTPO-UHFFFAOYSA-N
MW585.72 g/mol
LogP3.39
Rot. Bonds9

About N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide

N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 167444214) has the molecular formula C30H39N11O2 and a molecular weight of 585.72 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID167444214
Molecular FormulaC30H39N11O2
Molecular Weight585.72 g/mol
Exact Mass585.33
IUPAC NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1Nc1nn(C)c2nc(Nc3ccc(N4CCOCC4)nc3)ncc12
InChIInChI=1S/C30H39N11O2/c1-20-24(16-21(17-32-20)28(42)31-9-11-41-10-5-8-30(41,2)3)36-26-23-19-34-29(37-27(23)39(4)38-26)35-22-6-7-25(33-18-22)40-12-14-43-15-13-40/h6-7,16-19H,5,8-15H2,1-4H3,(H,31,42)(H,36,38)(H,34,35,37)
InChIKeyHSASMYCJAHXTPO-UHFFFAOYSA-N
XLogP3.39
TPSA138.25 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.72
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-{4-Morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
CID 44182308
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
GSK-3|A inhibitor 13
CID 134551592
(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564
7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925934
Pyrazolo pyrimidine, 5v
CID 44520825
6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328633
4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377956
4-N,2-dimethyl-3-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
CID 57378176
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 57378392
4-(Azetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazole-5-carboxamide
CID 71537870

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide (CID 167444214) is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1Nc1nn(C)c2nc(Nc3ccc(N4CCOCC4)nc3)ncc12.
What is the InChIKey of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is HSASMYCJAHXTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N11O2/c1-20-24(16-21(17-32-20)28(42)31-9-11-41-10-5-8-30(41,2)3)36-26-23-19-34-29(37-27(23)39(4)38-26)35-22-6-7-25(33-18-22)40-12-14-43-15-13-40/h6-7,16-19H,5,8-15H2,1-4H3,(H,31,42)(H,36,38)(H,34,35,37).
What are the key properties of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 585.72 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[[1-methyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167444214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).