N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide

C22H29N5O3 — CID 155870670

IUPACN-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)o1
InChIInChI=1S/C22H29N5O3/c1-15-6-7-17(30-15)21(29)26-12-10-22(14-26)9-8-18-24-25-19(27(18)13-11-22)20(28)23-16-4-2-3-5-16/h6-7,16H,2-5,8-14H2,1H3,(H,23,28)
InChIKeyRRWULSUKWPOUDI-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.72
Rot. Bonds3

About N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide

N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide (PubChem CID 155870670) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide
PubChem CID155870670
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)o1
InChIInChI=1S/C22H29N5O3/c1-15-6-7-17(30-15)21(29)26-12-10-22(14-26)9-8-18-24-25-19(27(18)13-11-22)20(28)23-16-4-2-3-5-16/h6-7,16H,2-5,8-14H2,1H3,(H,23,28)
InChIKeyRRWULSUKWPOUDI-UHFFFAOYSA-N
XLogP2.72
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide
CID 131680884
N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155834040
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
CID 155876019
N-[2-(dimethylamino)ethyl]-1'-(3,5-dimethylbenzoyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155866108
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323265
N-(2-methoxyethyl)-1'-(3-propan-2-yloxybenzoyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide
CID 131696627
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
(5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472086
2-ethyl-8-(5-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155870146
(5-methylfuran-2-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477842
N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide
CID 155871713

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide?
The IUPAC name of N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide (CID 155870670) is N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide is Cc1ccc(C(=O)N2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)o1.
What is the InChIKey of N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide?
The InChIKey is RRWULSUKWPOUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-15-6-7-17(30-15)21(29)26-12-10-22(14-26)9-8-18-24-25-19(27(18)13-11-22)20(28)23-16-4-2-3-5-16/h6-7,16H,2-5,8-14H2,1H3,(H,23,28).
What are the key properties of N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide?
N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide is sourced from PubChem (CID 155870670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).