4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide

C22H20ClN7O — CID 86267969

IUPAC4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C22H20ClN7O/c23-16-2-4-17(5-3-16)30-19-14-25-8-7-18(19)27-21(30)15-1-6-20(26-13-15)28-9-11-29(12-10-28)22(24)31/h1-8,13-14H,9-12H2,(H2,24,31)
InChIKeyJBDFBMBNQGQRIN-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.34
Rot. Bonds3

About 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide

4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 86267969) has the molecular formula C22H20ClN7O and a molecular weight of 433.90 g/mol. Its IUPAC name is 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID86267969
Molecular FormulaC22H20ClN7O
Molecular Weight433.90 g/mol
Exact Mass433.14
IUPAC Name4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C22H20ClN7O/c23-16-2-4-17(5-3-16)30-19-14-25-8-7-18(19)27-21(30)15-1-6-20(26-13-15)28-9-11-29(12-10-28)22(24)31/h1-8,13-14H,9-12H2,(H2,24,31)
InChIKeyJBDFBMBNQGQRIN-UHFFFAOYSA-N
XLogP3.34
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide (CID 86267969) is 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide is NC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is JBDFBMBNQGQRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O/c23-16-2-4-17(5-3-16)30-19-14-25-8-7-18(19)27-21(30)15-1-6-20(26-13-15)28-9-11-29(12-10-28)22(24)31/h1-8,13-14H,9-12H2,(H2,24,31).
What are the key properties of 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide?
4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 86267969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).