4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol

C23H31N3O2 — CID 58146877

IUPAC4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
SMILESOC12CC3CC(C1)C(Nc1c(CN4CCOCC4)cnc4c1C=CC4)C(C3)C2
InChIInChI=1S/C23H31N3O2/c27-23-10-15-8-16(11-23)21(17(9-15)12-23)25-22-18(14-26-4-6-28-7-5-26)13-24-20-3-1-2-19(20)22/h1-2,13,15-17,21,27H,3-12,14H2,(H,24,25)
InChIKeyVPXPKDSGRDKPGV-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.83
Rot. Bonds4

About 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol

4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol (PubChem CID 58146877) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
PubChem CID58146877
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
SMILESOC12CC3CC(C1)C(Nc1c(CN4CCOCC4)cnc4c1C=CC4)C(C3)C2
InChIInChI=1S/C23H31N3O2/c27-23-10-15-8-16(11-23)21(17(9-15)12-23)25-22-18(14-26-4-6-28-7-5-26)13-24-20-3-1-2-19(20)22/h1-2,13,15-17,21,27H,3-12,14H2,(H,24,25)
InChIKeyVPXPKDSGRDKPGV-UHFFFAOYSA-N
XLogP2.83
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol with MolForge

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Related Compounds

1-[5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-1,2,4-oxadiazol-3-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 58146563
4-[[(1R,3S)-5-bromo-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146299
4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146810
5-[(dimethylamino)methyl]-4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carbonitrile
CID 58146831
4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]adamantan-1-ol
CID 166928667
4-[(5-hydroxy-2-adamantyl)amino]-N-propan-2-yl-7H-cyclopenta[b]pyridine-3-carboxamide;4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide;4-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]-7H-cyclopenta[b]pyridine-3-carboxamide;4-[(5-propan-2-yloxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 165068134
2-[(5-bromo-2-adamantyl)amino]-1-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)ethanone
CID 58146564
N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide
CID 10072060
7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 66924098
4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70792279
2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
CID 159950128
ethyl 7-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxylate
CID 123462747

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The IUPAC name of 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol (CID 58146877) is 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol.
What is the SMILES notation for 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The canonical SMILES for 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol is OC12CC3CC(C1)C(Nc1c(CN4CCOCC4)cnc4c1C=CC4)C(C3)C2.
What is the InChIKey of 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The InChIKey is VPXPKDSGRDKPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-23-10-15-8-16(11-23)21(17(9-15)12-23)25-22-18(14-26-4-6-28-7-5-26)13-24-20-3-1-2-19(20)22/h1-2,13,15-17,21,27H,3-12,14H2,(H,24,25).
What are the key properties of 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol has a molecular weight of 381.52 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol is sourced from PubChem (CID 58146877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).