6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide

C24H27F2N5O2 — CID 175129766

IUPAC6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide
SMILESCOC1CCC(NC(=O)n2cnc3ncc(N4CCCC4c4cc(F)ccc4F)cc32)CC1
InChIInChI=1S/C24H27F2N5O2/c1-33-18-7-5-16(6-8-18)29-24(32)31-14-28-23-22(31)12-17(13-27-23)30-10-2-3-21(30)19-11-15(25)4-9-20(19)26/h4,9,11-14,16,18,21H,2-3,5-8,10H2,1H3,(H,29,32)
InChIKeyNSAOMEWMSCBTFB-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.57
Rot. Bonds4

About 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide

6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide (PubChem CID 175129766) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide
PubChem CID175129766
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide
SMILESCOC1CCC(NC(=O)n2cnc3ncc(N4CCCC4c4cc(F)ccc4F)cc32)CC1
InChIInChI=1S/C24H27F2N5O2/c1-33-18-7-5-16(6-8-18)29-24(32)31-14-28-23-22(31)12-17(13-27-23)30-10-2-3-21(30)19-11-15(25)4-9-20(19)26/h4,9,11-14,16,18,21H,2-3,5-8,10H2,1H3,(H,29,32)
InChIKeyNSAOMEWMSCBTFB-UHFFFAOYSA-N
XLogP4.57
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide?
The IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide (CID 175129766) is 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide.
What is the SMILES notation for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide?
The canonical SMILES for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide is COC1CCC(NC(=O)n2cnc3ncc(N4CCCC4c4cc(F)ccc4F)cc32)CC1.
What is the InChIKey of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide?
The InChIKey is NSAOMEWMSCBTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c1-33-18-7-5-16(6-8-18)29-24(32)31-14-28-23-22(31)12-17(13-27-23)30-10-2-3-21(30)19-11-15(25)4-9-20(19)26/h4,9,11-14,16,18,21H,2-3,5-8,10H2,1H3,(H,29,32).
What are the key properties of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide?
6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-1-carboxamide is sourced from PubChem (CID 175129766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).