4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

C20H24N6O2 — CID 162633215

IUPAC4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCc3nc(C4CC4)nn3CC2)CN1Cc1cccnc1
InChIInChI=1S/C20H24N6O2/c27-18-10-16(13-25(18)12-14-2-1-6-21-11-14)20(28)24-7-5-17-22-19(15-3-4-15)23-26(17)9-8-24/h1-2,6,11,15-16H,3-5,7-10,12-13H2
InChIKeySZBOGKZLYXZZKB-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.98
Rot. Bonds4

About 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (PubChem CID 162633215) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
PubChem CID162633215
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCc3nc(C4CC4)nn3CC2)CN1Cc1cccnc1
InChIInChI=1S/C20H24N6O2/c27-18-10-16(13-25(18)12-14-2-1-6-21-11-14)20(28)24-7-5-17-22-19(15-3-4-15)23-26(17)9-8-24/h1-2,6,11,15-16H,3-5,7-10,12-13H2
InChIKeySZBOGKZLYXZZKB-UHFFFAOYSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 98324872
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97200994
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97202475
4-(4-phenylmethoxypiperidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 131915998
1-ethyl-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 72837378
7-[(3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136831947
N-ethyl-2-[4-[(3S)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 97274799
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 113184018
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
(4S)-1-(pyridin-2-ylmethyl)-4-[4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 97130441
(4S)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97034453
1-(2-chlorophenyl)-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 134045069

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (CID 162633215) is 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCc3nc(C4CC4)nn3CC2)CN1Cc1cccnc1.
What is the InChIKey of 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is SZBOGKZLYXZZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-18-10-16(13-25(18)12-14-2-1-6-21-11-14)20(28)24-7-5-17-22-19(15-3-4-15)23-26(17)9-8-24/h1-2,6,11,15-16H,3-5,7-10,12-13H2.
What are the key properties of 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 380.45 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 162633215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).