3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile

C26H31N7O2 — CID 32784756

IUPAC3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
SMILESN#Cc1c(N2CCC[C@@H](O)C2)nc(N)c2c(N)nc3c(c12)CC(=O)N3C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H31N7O2/c27-11-18-20-17-7-19(35)33(26-8-13-4-14(9-26)6-15(5-13)10-26)25(17)31-23(29)21(20)22(28)30-24(18)32-3-1-2-16(34)12-32/h13-16,34H,1-10,12H2,(H2,28,30)(H2,29,31)/t13?,14?,15?,16-,26?/m1/s1
InChIKeyKZXIXPOPZHAIFY-RASDDAQTSA-N
MW473.58 g/mol
LogP2.48
Rot. Bonds2

About 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile

3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile (PubChem CID 32784756) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile.

Molecular Properties

Compound Name3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
PubChem CID32784756
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
SMILESN#Cc1c(N2CCC[C@@H](O)C2)nc(N)c2c(N)nc3c(c12)CC(=O)N3C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H31N7O2/c27-11-18-20-17-7-19(35)33(26-8-13-4-14(9-26)6-15(5-13)10-26)25(17)31-23(29)21(20)22(28)30-24(18)32-3-1-2-16(34)12-32/h13-16,34H,1-10,12H2,(H2,28,30)(H2,29,31)/t13?,14?,15?,16-,26?/m1/s1
InChIKeyKZXIXPOPZHAIFY-RASDDAQTSA-N
XLogP2.48
TPSA145.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile with MolForge

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Related Compounds

ethyl (3R)-1-[5,6-diamino-9-cyano-3-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-3-carboxylate
CID 51886928
8-(4-acetylpiperazin-1-yl)-5,6-diamino-3-methyl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
CID 4542822
2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658799
5,6-diamino-3-[(2S)-butan-2-yl]-8-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
CID 25339470
5,6-diamino-3-butyl-8-(4-formylpiperazin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
CID 4009619
5-amino-3-(3-hydroxypiperidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796673
1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide
CID 4846009
5-amino-6-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 103467569
5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 76848480
3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417583
2-(3-hydroxypiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940480
ethyl 4-[(3R)-3-hydroxypiperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 35885013

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The IUPAC name of 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile (CID 32784756) is 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile.
What is the SMILES notation for 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The canonical SMILES for 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile is N#Cc1c(N2CCC[C@@H](O)C2)nc(N)c2c(N)nc3c(c12)CC(=O)N3C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The InChIKey is KZXIXPOPZHAIFY-RASDDAQTSA-N. The full InChI is InChI=1S/C26H31N7O2/c27-11-18-20-17-7-19(35)33(26-8-13-4-14(9-26)6-15(5-13)10-26)25(17)31-23(29)21(20)22(28)30-24(18)32-3-1-2-16(34)12-32/h13-16,34H,1-10,12H2,(H2,28,30)(H2,29,31)/t13?,14?,15?,16-,26?/m1/s1.
What are the key properties of 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile has a molecular weight of 473.58 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5,6-diamino-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile is sourced from PubChem (CID 32784756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).