N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C23H23ClN6O2S — CID 86267967

IUPACN-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C23H23ClN6O2S/c1-33(31,32)28-18-9-12-29(13-10-18)22-7-2-16(14-26-22)23-27-20-8-11-25-15-21(20)30(23)19-5-3-17(24)4-6-19/h2-8,11,14-15,18,28H,9-10,12-13H2,1H3
InChIKeyHWOTXGFQJDVNBG-UHFFFAOYSA-N
MW483.00 g/mol
LogP3.65
Rot. Bonds5

About N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 86267967) has the molecular formula C23H23ClN6O2S and a molecular weight of 483.00 g/mol. Its IUPAC name is N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID86267967
Molecular FormulaC23H23ClN6O2S
Molecular Weight483.00 g/mol
Exact Mass482.13
IUPAC NameN-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C23H23ClN6O2S/c1-33(31,32)28-18-9-12-29(13-10-18)22-7-2-16(14-26-22)23-27-20-8-11-25-15-21(20)30(23)19-5-3-17(24)4-6-19/h2-8,11,14-15,18,28H,9-10,12-13H2,1H3
InChIKeyHWOTXGFQJDVNBG-UHFFFAOYSA-N
XLogP3.65
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.00
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 86267967) is N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is HWOTXGFQJDVNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2S/c1-33(31,32)28-18-9-12-29(13-10-18)22-7-2-16(14-26-22)23-27-20-8-11-25-15-21(20)30(23)19-5-3-17(24)4-6-19/h2-8,11,14-15,18,28H,9-10,12-13H2,1H3.
What are the key properties of N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 483.00 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 86267967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).