4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide

C19H22ClN7O — CID 11682758

IUPAC4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ncccc34)n2)CC1
InChIInChI=1S/C19H22ClN7O/c1-26(2)19(28)27-8-5-12(6-9-27)24-18-23-11-15(20)16(25-18)14-10-22-17-13(14)4-3-7-21-17/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKeyOZRVKJXEARKMFM-UHFFFAOYSA-N
MW399.89 g/mol
LogP3.23
Rot. Bonds3

About 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide

4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 11682758) has the molecular formula C19H22ClN7O and a molecular weight of 399.89 g/mol. Its IUPAC name is 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID11682758
Molecular FormulaC19H22ClN7O
Molecular Weight399.89 g/mol
Exact Mass399.16
IUPAC Name4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ncccc34)n2)CC1
InChIInChI=1S/C19H22ClN7O/c1-26(2)19(28)27-8-5-12(6-9-27)24-18-23-11-15(20)16(25-18)14-10-22-17-13(14)4-3-7-21-17/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKeyOZRVKJXEARKMFM-UHFFFAOYSA-N
XLogP3.23
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-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

(4-aminophenyl)-[4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 122542085
1-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-(methylamino)ethanone;formic acid
CID 161183522
1-[4-[[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-methylamino]piperidin-1-yl]prop-2-en-1-one
CID 129279037
4-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]pyrrolidine-1-carbonyl]piperidine-1-carboxylic acid
CID 118417746
(E)-1-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]pyrrolidine-1-carbonyl]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 118417946
N-[4-[[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenyl]-4-(dimethylamino)butanamide
CID 122542070
N-[(3R)-1-(5-amino-3-methylpent-1-en-2-yl)pyrrolidin-3-yl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 118425456
(E)-N-[4-[[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methyl]phenyl]-4-(dimethylamino)but-2-enamide
CID 118025398
(5-amino-2-pyridinyl)-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 134543406
(E)-1-[3-[[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-methylamino]azetidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 135255405
N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]prop-2-enamide
CID 135255563
N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;hydrochloride
CID 118025385

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide (CID 11682758) is 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ncccc34)n2)CC1.
What is the InChIKey of 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is OZRVKJXEARKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7O/c1-26(2)19(28)27-8-5-12(6-9-27)24-18-23-11-15(20)16(25-18)14-10-22-17-13(14)4-3-7-21-17/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24,25).
What are the key properties of 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide?
4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 399.89 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 11682758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).