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

C23H25ClN6O2 — CID 134796711

IUPAC[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)CC2)C1
InChIInChI=1S/C23H25ClN6O2/c24-20-4-3-16(12-26-20)22(31)30-9-1-2-17(14-30)23(32)29-10-6-15(7-11-29)21-27-18-5-8-25-13-19(18)28-21/h3-5,8,12-13,15,17H,1-2,6-7,9-11,14H2,(H,27,28)
InChIKeyQFCXYYPUVALOIV-UHFFFAOYSA-N
MW452.95 g/mol
LogP3.26
Rot. Bonds3

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

[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 134796711) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID134796711
Molecular FormulaC23H25ClN6O2
Molecular Weight452.95 g/mol
Exact Mass452.17
IUPAC Name[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)CC2)C1
InChIInChI=1S/C23H25ClN6O2/c24-20-4-3-16(12-26-20)22(31)30-9-1-2-17(14-30)23(32)29-10-6-15(7-11-29)21-27-18-5-8-25-13-19(18)28-21/h3-5,8,12-13,15,17H,1-2,6-7,9-11,14H2,(H,27,28)
InChIKeyQFCXYYPUVALOIV-UHFFFAOYSA-N
XLogP3.26
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 53.26
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]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone (CID 134796711) is [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)nc1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)CC2)C1.
What is the InChIKey of [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is QFCXYYPUVALOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c24-20-4-3-16(12-26-20)22(31)30-9-1-2-17(14-30)23(32)29-10-6-15(7-11-29)21-27-18-5-8-25-13-19(18)28-21/h3-5,8,12-13,15,17H,1-2,6-7,9-11,14H2,(H,27,28).
What are the key properties of [1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone?
[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 452.95 g/mol, XLogP of 3.26, 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]-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 134796711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).