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

C23H24ClN5O2 — CID 134800531

IUPAC[1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)C2)CC1
InChIInChI=1S/C23H24ClN5O2/c24-18-4-1-3-16(13-18)23(31)28-10-6-15(7-11-28)22(30)29-12-8-17(14-29)20-26-19-5-2-9-25-21(19)27-20/h1-5,9,13,15,17H,6-8,10-12,14H2,(H,25,26,27)
InChIKeyZABJRDDFIPASLU-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.48
Rot. Bonds3

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

[1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 134800531) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is [1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID134800531
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name[1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)C2)CC1
InChIInChI=1S/C23H24ClN5O2/c24-18-4-1-3-16(13-18)23(31)28-10-6-15(7-11-28)22(30)29-12-8-17(14-29)20-26-19-5-2-9-25-21(19)27-20/h1-5,9,13,15,17H,6-8,10-12,14H2,(H,25,26,27)
InChIKeyZABJRDDFIPASLU-UHFFFAOYSA-N
XLogP3.48
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 134800531) is [1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)C2)CC1.
What is the InChIKey of [1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ZABJRDDFIPASLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-18-4-1-3-16(13-18)23(31)28-10-6-15(7-11-28)22(30)29-12-8-17(14-29)20-26-19-5-2-9-25-21(19)27-20/h1-5,9,13,15,17H,6-8,10-12,14H2,(H,25,26,27).
What are the key properties of [1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
[1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 437.93 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorobenzoyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 134800531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).