[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone

C24H26N4O3 — CID 171675011

IUPAC[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cc2n(n1)CCCN(C(=O)c1cccc3ccccc13)C2)N1CCC[C@@H](O)C1
InChIInChI=1S/C24H26N4O3/c29-19-8-4-11-27(16-19)24(31)22-14-18-15-26(12-5-13-28(18)25-22)23(30)21-10-3-7-17-6-1-2-9-20(17)21/h1-3,6-7,9-10,14,19,29H,4-5,8,11-13,15-16H2/t19-/m1/s1
InChIKeyUQZFGTMHQOZLSV-LJQANCHMSA-N
MW418.50 g/mol
LogP2.68
Rot. Bonds2

About [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone

[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone (PubChem CID 171675011) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone
PubChem CID171675011
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cc2n(n1)CCCN(C(=O)c1cccc3ccccc13)C2)N1CCC[C@@H](O)C1
InChIInChI=1S/C24H26N4O3/c29-19-8-4-11-27(16-19)24(31)22-14-18-15-26(12-5-13-28(18)25-22)23(30)21-10-3-7-17-6-1-2-9-20(17)21/h1-3,6-7,9-10,14,19,29H,4-5,8,11-13,15-16H2/t19-/m1/s1
InChIKeyUQZFGTMHQOZLSV-LJQANCHMSA-N
XLogP2.68
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone with MolForge

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Related Compounds

1-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 95208357
1-[2-[(3S)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 95208356
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300647
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
2,3-dihydro-1-benzofuran-7-yl-[2-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 50955834
methyl 5-(quinoline-8-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50981124
(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone (CID 171675011) is [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone is O=C(c1cc2n(n1)CCCN(C(=O)c1cccc3ccccc13)C2)N1CCC[C@@H](O)C1.
What is the InChIKey of [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone?
The InChIKey is UQZFGTMHQOZLSV-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-19-8-4-11-27(16-19)24(31)22-14-18-15-26(12-5-13-28(18)25-22)23(30)21-10-3-7-17-6-1-2-9-20(17)21/h1-3,6-7,9-10,14,19,29H,4-5,8,11-13,15-16H2/t19-/m1/s1.
What are the key properties of [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone?
[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone has a molecular weight of 418.50 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 171675011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).