[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone

C25H35N3O2 — CID 177244844

IUPAC[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CC2CCC(C3CCCCC3)CC2)c2cccnc12)N1CCOCC1
InChIInChI=1S/C25H35N3O2/c29-25(27-13-15-30-16-14-27)22-18-28(23-7-4-12-26-24(22)23)17-19-8-10-21(11-9-19)20-5-2-1-3-6-20/h4,7,12,18-21H,1-3,5-6,8-11,13-17H2
InChIKeySHWCIQINGUMDNI-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.90
Rot. Bonds4

About [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone

[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 177244844) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID177244844
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CC2CCC(C3CCCCC3)CC2)c2cccnc12)N1CCOCC1
InChIInChI=1S/C25H35N3O2/c29-25(27-13-15-30-16-14-27)22-18-28(23-7-4-12-26-24(22)23)17-19-8-10-21(11-9-19)20-5-2-1-3-6-20/h4,7,12,18-21H,1-3,5-6,8-11,13-17H2
InChIKeySHWCIQINGUMDNI-UHFFFAOYSA-N
XLogP4.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244796
[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone
CID 177244912
[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244937
morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244714
N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide
CID 177244839
morpholin-4-yl-[1-[[4-(3-nitrophenyl)cyclohex-3-en-1-yl]methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244715
morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244772
methyl 3-[4-[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]butyl]benzoate
CID 177244684
quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518744
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide
CID 177244994

Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone (CID 177244844) is [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone is O=C(c1cn(CC2CCC(C3CCCCC3)CC2)c2cccnc12)N1CCOCC1.
What is the InChIKey of [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is SHWCIQINGUMDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c29-25(27-13-15-30-16-14-27)22-18-28(23-7-4-12-26-24(22)23)17-19-8-10-21(11-9-19)20-5-2-1-3-6-20/h4,7,12,18-21H,1-3,5-6,8-11,13-17H2.
What are the key properties of [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 409.57 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 177244844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).