N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide

C20H27N9O2 — CID 145488359

IUPACN-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide
SMILESCn1ncc2c(C(=O)N[C@@H](CCCN)C(=O)NC3CCC[C@H]3c3nn[nH]n3)cccc21
InChIInChI=1S/C20H27N9O2/c1-29-17-9-3-5-12(14(17)11-22-29)19(30)24-16(8-4-10-21)20(31)23-15-7-2-6-13(15)18-25-27-28-26-18/h3,5,9,11,13,15-16H,2,4,6-8,10,21H2,1H3,(H,23,31)(H,24,30)(H,25,26,27,28)/t13-,15?,16+/m1/s1
InChIKeyBKEJQGKUXAFVDH-BXCKNWRKSA-N
MW425.50 g/mol
LogP0.38
Rot. Bonds8

About N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide

N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide (PubChem CID 145488359) has the molecular formula C20H27N9O2 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide
PubChem CID145488359
Molecular FormulaC20H27N9O2
Molecular Weight425.50 g/mol
Exact Mass425.23
IUPAC NameN-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide
SMILESCn1ncc2c(C(=O)N[C@@H](CCCN)C(=O)NC3CCC[C@H]3c3nn[nH]n3)cccc21
InChIInChI=1S/C20H27N9O2/c1-29-17-9-3-5-12(14(17)11-22-29)19(30)24-16(8-4-10-21)20(31)23-15-7-2-6-13(15)18-25-27-28-26-18/h3,5,9,11,13,15-16H,2,4,6-8,10,21H2,1H3,(H,23,31)(H,24,30)(H,25,26,27,28)/t13-,15?,16+/m1/s1
InChIKeyBKEJQGKUXAFVDH-BXCKNWRKSA-N
XLogP0.38
TPSA156.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)cyclopentyl]amino]hexan-2-yl]indazole-4-carboxamide
CID 59453971
6-chloro-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]pyridine-2-carboxamide
CID 59453896
N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide
CID 163504552
1-methyl-N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]indole-6-carboxamide
CID 59453835
(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide
CID 59454005
cis-(1R,2S)-2-[[(2S)-2-[(1-methylindazole-3-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453915
2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid
CID 146462298
(2S)-2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]hexanoic acid
CID 175201136
cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate
CID 145488282
2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 145488382
cis-(1R,2S)-2-[[(2S)-5-amino-2-(isoquinoline-3-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 163857323
2-[[5-amino-2-(imidazo[1,2-a]pyridine-6-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 145488362

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide?
The IUPAC name of N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide (CID 145488359) is N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide?
The canonical SMILES for N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide is Cn1ncc2c(C(=O)N[C@@H](CCCN)C(=O)NC3CCC[C@H]3c3nn[nH]n3)cccc21.
What is the InChIKey of N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide?
The InChIKey is BKEJQGKUXAFVDH-BXCKNWRKSA-N. The full InChI is InChI=1S/C20H27N9O2/c1-29-17-9-3-5-12(14(17)11-22-29)19(30)24-16(8-4-10-21)20(31)23-15-7-2-6-13(15)18-25-27-28-26-18/h3,5,9,11,13,15-16H,2,4,6-8,10,21H2,1H3,(H,23,31)(H,24,30)(H,25,26,27,28)/t13-,15?,16+/m1/s1.
What are the key properties of N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide?
N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 0.38, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-amino-1-oxo-1-[[(2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-1-methylindazole-4-carboxamide is sourced from PubChem (CID 145488359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).