N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide

C28H35F2N5O2 — CID 145451401

IUPACN-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide
SMILESCc1cn2c(C(=O)NC3CCC(CCN4CCc5ccc(OCC(F)F)nc5CC4)CC3)cccc2n1
InChIInChI=1S/C28H35F2N5O2/c1-19-17-35-24(3-2-4-26(35)31-19)28(36)32-22-8-5-20(6-9-22)11-14-34-15-12-21-7-10-27(37-18-25(29)30)33-23(21)13-16-34/h2-4,7,10,17,20,22,25H,5-6,8-9,11-16,18H2,1H3,(H,32,36)
InChIKeyJEYDGFUPNYHVES-UHFFFAOYSA-N
MW511.62 g/mol
LogP4.46
Rot. Bonds8

About N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide

N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 145451401) has the molecular formula C28H35F2N5O2 and a molecular weight of 511.62 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide
PubChem CID145451401
Molecular FormulaC28H35F2N5O2
Molecular Weight511.62 g/mol
Exact Mass511.28
IUPAC NameN-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide
SMILESCc1cn2c(C(=O)NC3CCC(CCN4CCc5ccc(OCC(F)F)nc5CC4)CC3)cccc2n1
InChIInChI=1S/C28H35F2N5O2/c1-19-17-35-24(3-2-4-26(35)31-19)28(36)32-22-8-5-20(6-9-22)11-14-34-15-12-21-7-10-27(37-18-25(29)30)33-23(21)13-16-34/h2-4,7,10,17,20,22,25H,5-6,8-9,11-16,18H2,1H3,(H,32,36)
InChIKeyJEYDGFUPNYHVES-UHFFFAOYSA-N
XLogP4.46
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide (CID 145451401) is N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide is Cc1cn2c(C(=O)NC3CCC(CCN4CCc5ccc(OCC(F)F)nc5CC4)CC3)cccc2n1.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is JEYDGFUPNYHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2N5O2/c1-19-17-35-24(3-2-4-26(35)31-19)28(36)32-22-8-5-20(6-9-22)11-14-34-15-12-21-7-10-27(37-18-25(29)30)33-23(21)13-16-34/h2-4,7,10,17,20,22,25H,5-6,8-9,11-16,18H2,1H3,(H,32,36).
What are the key properties of N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide?
N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 511.62 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylimidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 145451401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).