4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide

C23H28ClN7O — CID 172533600

IUPAC4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide
SMILESCn1ccc2ccnc(N(C(=O)N3CCN(c4cccc(Cl)n4)CC3)[C@@H]3CCCNC3)c21
InChIInChI=1S/C23H28ClN7O/c1-28-11-8-17-7-10-26-22(21(17)28)31(18-4-3-9-25-16-18)23(32)30-14-12-29(13-15-30)20-6-2-5-19(24)27-20/h2,5-8,10-11,18,25H,3-4,9,12-16H2,1H3/t18-/m1/s1
InChIKeyPZSQAIAMYIDWER-GOSISDBHSA-N
MW453.98 g/mol
LogP3.12
Rot. Bonds3

About 4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide

4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide (PubChem CID 172533600) has the molecular formula C23H28ClN7O and a molecular weight of 453.98 g/mol. Its IUPAC name is 4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide
PubChem CID172533600
Molecular FormulaC23H28ClN7O
Molecular Weight453.98 g/mol
Exact Mass453.20
IUPAC Name4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide
SMILESCn1ccc2ccnc(N(C(=O)N3CCN(c4cccc(Cl)n4)CC3)[C@@H]3CCCNC3)c21
InChIInChI=1S/C23H28ClN7O/c1-28-11-8-17-7-10-26-22(21(17)28)31(18-4-3-9-25-16-18)23(32)30-14-12-29(13-15-30)20-6-2-5-19(24)27-20/h2,5-8,10-11,18,25H,3-4,9,12-16H2,1H3/t18-/m1/s1
InChIKeyPZSQAIAMYIDWER-GOSISDBHSA-N
XLogP3.12
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.98
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(8-methylisoquinolin-1-yl)-4-phenyl-N-[(3R)-piperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 172532790
N-(6,8-dimethylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide
CID 172533542
ethyl 5-[1-[(8-methylisoquinolin-1-yl)-[(3R)-piperidin-3-yl]carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxylate
CID 172533442
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 95622258
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]benzamide
CID 172533332
N-(6-chloro-8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-piperidin-3-ylbenzamide
CID 172531923
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55876732
N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide
CID 172533317
3-[5-(3-hydroxypyrrolidin-1-yl)-5-oxopent-1-ynyl]-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533034
N-(8-chloroisoquinolin-1-yl)-2-fluoro-4-iodo-N-[(3R)-piperidin-3-yl]benzamide
CID 172532980
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533003
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-[[4-(3-oxopyrrolidin-1-yl)pyrimidin-2-yl]amino]-N-[(3R)-piperidin-3-yl]benzamide
CID 172532156

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide (CID 172533600) is 4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide is Cn1ccc2ccnc(N(C(=O)N3CCN(c4cccc(Cl)n4)CC3)[C@@H]3CCCNC3)c21.
What is the InChIKey of 4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide?
The InChIKey is PZSQAIAMYIDWER-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28ClN7O/c1-28-11-8-17-7-10-26-22(21(17)28)31(18-4-3-9-25-16-18)23(32)30-14-12-29(13-15-30)20-6-2-5-19(24)27-20/h2,5-8,10-11,18,25H,3-4,9,12-16H2,1H3/t18-/m1/s1.
What are the key properties of 4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide?
4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide has a molecular weight of 453.98 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-pyridinyl)-N-(1-methylpyrrolo[2,3-c]pyridin-7-yl)-N-[(3R)-piperidin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 172533600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).