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

C23H29N3O2 — CID 177244796

IUPAC[1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CC2C3CC4CC(C3)CC2C4)c2cccnc12)N1CCOCC1
InChIInChI=1S/C23H29N3O2/c27-23(25-4-6-28-7-5-25)20-14-26(21-2-1-3-24-22(20)21)13-19-17-9-15-8-16(11-17)12-18(19)10-15/h1-3,14-19H,4-13H2
InChIKeyMOYHQNSVSJXLMQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.58
Rot. Bonds3

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

[1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 177244796) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID177244796
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CC2C3CC4CC(C3)CC2C4)c2cccnc12)N1CCOCC1
InChIInChI=1S/C23H29N3O2/c27-23(25-4-6-28-7-5-25)20-14-26(21-2-1-3-24-22(20)21)13-19-17-9-15-8-16(11-17)12-18(19)10-15/h1-3,14-19H,4-13H2
InChIKeyMOYHQNSVSJXLMQ-UHFFFAOYSA-N
XLogP3.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244844
morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244714
morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244772
[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244937
morpholin-4-yl-[1-[[4-(3-nitrophenyl)cyclohex-3-en-1-yl]methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244715
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
morpholin-4-yl-[1-[2-(2-phenylcyclopropyl)ethyl]indol-3-yl]methanone
CID 178132738
(2-anilino-3-pyridinyl)-morpholin-4-ylmethanone
CID 1440870
1-[(6-chloro-3-pyridinyl)methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 121464527
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767
6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one
CID 149335829

Frequently Asked Questions

What is the IUPAC name of [1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone (CID 177244796) is [1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone is O=C(c1cn(CC2C3CC4CC(C3)CC2C4)c2cccnc12)N1CCOCC1.
What is the InChIKey of [1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is MOYHQNSVSJXLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(25-4-6-28-7-5-25)20-14-26(21-2-1-3-24-22(20)21)13-19-17-9-15-8-16(11-17)12-18(19)10-15/h1-3,14-19H,4-13H2.
What are the key properties of [1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
[1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 379.50 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 177244796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).