(4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one

C19H29N5O2 — CID 97119881

IUPAC(4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one
SMILESCC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2
InChIInChI=1S/C19H29N5O2/c1-13(2)18-21-20-16-7-8-22(9-10-23(16)18)19(26)14-11-17(25)24(12-14)15-5-3-4-6-15/h13-15H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyHOMOLUUSJWFUMW-CQSZACIVSA-N
MW359.47 g/mol
LogP1.58
Rot. Bonds3

About (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one

(4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one (PubChem CID 97119881) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one
PubChem CID97119881
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one
SMILESCC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2
InChIInChI=1S/C19H29N5O2/c1-13(2)18-21-20-16-7-8-22(9-10-23(16)18)19(26)14-11-17(25)24(12-14)15-5-3-4-6-15/h13-15H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyHOMOLUUSJWFUMW-CQSZACIVSA-N
XLogP1.58
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-ethyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one
CID 97196653
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
1-cyclopentyl-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86890881
(4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one
CID 95345350
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 131952328

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one (CID 97119881) is (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one is CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2.
What is the InChIKey of (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one?
The InChIKey is HOMOLUUSJWFUMW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13(2)18-21-20-16-7-8-22(9-10-23(16)18)19(26)14-11-17(25)24(12-14)15-5-3-4-6-15/h13-15H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one?
(4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 97119881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).