morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone

C25H27N3O2 — CID 177244714

IUPACmorpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
SMILESO=C(c1cn(CC2CC=C(c3ccccc3)CC2)c2cccnc12)N1CCOCC1
InChIInChI=1S/C25H27N3O2/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/h1-7,10,12,18-19H,8-9,11,13-17H2
InChIKeyIIZSLECWCLOVCL-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.39
Rot. Bonds4

About morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone

morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone (PubChem CID 177244714) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
PubChem CID177244714
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Namemorpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
SMILESO=C(c1cn(CC2CC=C(c3ccccc3)CC2)c2cccnc12)N1CCOCC1
InChIInChI=1S/C25H27N3O2/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/h1-7,10,12,18-19H,8-9,11,13-17H2
InChIKeyIIZSLECWCLOVCL-UHFFFAOYSA-N
XLogP4.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-[1-[[4-(3-nitrophenyl)cyclohex-3-en-1-yl]methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244715
[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244844
[1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244796
[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244937
[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone
CID 177244912
morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244772
N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide
CID 177244839
methyl 3-[4-[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]butyl]benzoate
CID 177244684
(2-anilino-3-pyridinyl)-morpholin-4-ylmethanone
CID 1440870
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767
morpholin-4-yl-[1-[2-(2-phenylcyclopropyl)ethyl]indol-3-yl]methanone
CID 178132738
2-[1-[3-(3-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 46377888

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone (CID 177244714) is morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone is O=C(c1cn(CC2CC=C(c3ccccc3)CC2)c2cccnc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone?
The InChIKey is IIZSLECWCLOVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/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/h1-7,10,12,18-19H,8-9,11,13-17H2.
What are the key properties of morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone?
morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone has a molecular weight of 401.51 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone is sourced from PubChem (CID 177244714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).