1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide

C26H28ClN7O — CID 69046988

IUPAC1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4cccnc4n3C)CC2)ncc1Cl
InChIInChI=1S/C26H28ClN7O/c1-17-5-3-10-28-24(17)19-15-23(31-16-20(19)27)34-13-8-18(9-14-34)26(35)30-12-7-22-32-21-6-4-11-29-25(21)33(22)2/h3-6,10-11,15-16,18H,7-9,12-14H2,1-2H3,(H,30,35)
InChIKeyUNDKTNMPMFCHOS-UHFFFAOYSA-N
MW490.01 g/mol
LogP3.96
Rot. Bonds6

About 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 69046988) has the molecular formula C26H28ClN7O and a molecular weight of 490.01 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID69046988
Molecular FormulaC26H28ClN7O
Molecular Weight490.01 g/mol
Exact Mass489.20
IUPAC Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4cccnc4n3C)CC2)ncc1Cl
InChIInChI=1S/C26H28ClN7O/c1-17-5-3-10-28-24(17)19-15-23(31-16-20(19)27)34-13-8-18(9-14-34)26(35)30-12-7-22-32-21-6-4-11-29-25(21)33(22)2/h3-6,10-11,15-16,18H,7-9,12-14H2,1-2H3,(H,30,35)
InChIKeyUNDKTNMPMFCHOS-UHFFFAOYSA-N
XLogP3.96
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide (CID 69046988) is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide is Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4cccnc4n3C)CC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is UNDKTNMPMFCHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O/c1-17-5-3-10-28-24(17)19-15-23(31-16-20(19)27)34-13-8-18(9-14-34)26(35)30-12-7-22-32-21-6-4-11-29-25(21)33(22)2/h3-6,10-11,15-16,18H,7-9,12-14H2,1-2H3,(H,30,35).
What are the key properties of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide?
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 490.01 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 69046988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).