2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one

C34H37ClN6O2 — CID 90684260

IUPAC2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one
SMILESCC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C4CC=CC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C34H37ClN6O2/c1-22-10-12-23(13-11-22)20-41-33-29(39-34(41)40-14-15-43-21-30(40)24-6-3-2-4-7-24)17-28(27-8-5-9-31(42)37-27)38-32(33)25-16-26(35)19-36-18-25/h2-7,9,16-19,22-23,27,30H,8,10-15,20-21H2,1H3,(H,37,42)/t22?,23?,27?,30-/m0/s1
InChIKeyYKAZCHMHDWOTRW-MTSXOZQMSA-N
MW597.16 g/mol
LogP6.67
Rot. Bonds6

About 2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one

2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one (PubChem CID 90684260) has the molecular formula C34H37ClN6O2 and a molecular weight of 597.16 g/mol. Its IUPAC name is 2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one
PubChem CID90684260
Molecular FormulaC34H37ClN6O2
Molecular Weight597.16 g/mol
Exact Mass596.27
IUPAC Name2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one
SMILESCC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C4CC=CC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C34H37ClN6O2/c1-22-10-12-23(13-11-22)20-41-33-29(39-34(41)40-14-15-43-21-30(40)24-6-3-2-4-7-24)17-28(27-8-5-9-31(42)37-27)38-32(33)25-16-26(35)19-36-18-25/h2-7,9,16-19,22-23,27,30H,8,10-15,20-21H2,1H3,(H,37,42)/t22?,23?,27?,30-/m0/s1
InChIKeyYKAZCHMHDWOTRW-MTSXOZQMSA-N
XLogP6.67
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.16
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one (CID 90684260) is 2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one is CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C4CC=CC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is YKAZCHMHDWOTRW-MTSXOZQMSA-N. The full InChI is InChI=1S/C34H37ClN6O2/c1-22-10-12-23(13-11-22)20-41-33-29(39-34(41)40-14-15-43-21-30(40)24-6-3-2-4-7-24)17-28(27-8-5-9-31(42)37-27)38-32(33)25-16-26(35)19-36-18-25/h2-7,9,16-19,22-23,27,30H,8,10-15,20-21H2,1H3,(H,37,42)/t22?,23?,27?,30-/m0/s1.
What are the key properties of 2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one?
2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 597.16 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 90684260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).