[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

C22H23ClN6O2 — CID 134797892

IUPAC[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)C2)C1
InChIInChI=1S/C22H23ClN6O2/c23-18-6-5-14(11-25-18)21(30)28-9-2-3-16(13-28)22(31)29-10-7-15(12-29)19-26-17-4-1-8-24-20(17)27-19/h1,4-6,8,11,15-16H,2-3,7,9-10,12-13H2,(H,24,26,27)
InChIKeyCAGXDVLWCOBXRN-UHFFFAOYSA-N
MW438.92 g/mol
LogP2.87
Rot. Bonds3

About [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 134797892) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID134797892
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)C2)C1
InChIInChI=1S/C22H23ClN6O2/c23-18-6-5-14(11-25-18)21(30)28-9-2-3-16(13-28)22(31)29-10-7-15(12-29)19-26-17-4-1-8-24-20(17)27-19/h1,4-6,8,11,15-16H,2-3,7,9-10,12-13H2,(H,24,26,27)
InChIKeyCAGXDVLWCOBXRN-UHFFFAOYSA-N
XLogP2.87
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 134797892) is [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)nc1)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)C2)C1.
What is the InChIKey of [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is CAGXDVLWCOBXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c23-18-6-5-14(11-25-18)21(30)28-9-2-3-16(13-28)22(31)29-10-7-15(12-29)19-26-17-4-1-8-24-20(17)27-19/h1,4-6,8,11,15-16H,2-3,7,9-10,12-13H2,(H,24,26,27).
What are the key properties of [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 438.92 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 134797892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).