N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C39H45F2N7O4 — CID 167308835

IUPACN-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCC(CN4CCC(c5ccc(N6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1
InChIInChI=1S/C39H45F2N7O4/c1-24(2)52-33-20-35-43-32(23-47(35)22-30(33)38(50)44-34-5-3-4-31(42-34)37(40)41)28-8-6-25(7-9-28)21-46-17-14-27(15-18-46)26-10-12-29(13-11-26)48-19-16-36(49)45-39(48)51/h3-5,10-13,20,22-25,27-28,37H,6-9,14-19,21H2,1-2H3,(H,42,44,50)(H,45,49,51)
InChIKeyBGWIPYLDZCQWLH-UHFFFAOYSA-N
MW713.83 g/mol
LogP7.31
Rot. Bonds10

About N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167308835) has the molecular formula C39H45F2N7O4 and a molecular weight of 713.83 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID167308835
Molecular FormulaC39H45F2N7O4
Molecular Weight713.83 g/mol
Exact Mass713.35
IUPAC NameN-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCC(CN4CCC(c5ccc(N6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1
InChIInChI=1S/C39H45F2N7O4/c1-24(2)52-33-20-35-43-32(23-47(35)22-30(33)38(50)44-34-5-3-4-31(42-34)37(40)41)28-8-6-25(7-9-28)21-46-17-14-27(15-18-46)26-10-12-29(13-11-26)48-19-16-36(49)45-39(48)51/h3-5,10-13,20,22-25,27-28,37H,6-9,14-19,21H2,1-2H3,(H,42,44,50)(H,45,49,51)
InChIKeyBGWIPYLDZCQWLH-UHFFFAOYSA-N
XLogP7.31
TPSA121.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.83
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 167308835) is N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C3CCC(CN4CCC(c5ccc(N6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1.
What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is BGWIPYLDZCQWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45F2N7O4/c1-24(2)52-33-20-35-43-32(23-47(35)22-30(33)38(50)44-34-5-3-4-31(42-34)37(40)41)28-8-6-25(7-9-28)21-46-17-14-27(15-18-46)26-10-12-29(13-11-26)48-19-16-36(49)45-39(48)51/h3-5,10-13,20,22-25,27-28,37H,6-9,14-19,21H2,1-2H3,(H,42,44,50)(H,45,49,51).
What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 713.83 g/mol, XLogP of 7.31, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-pyridinyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167308835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).