tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate

C26H30N6O4 — CID 172633319

IUPACtert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate
SMILESCOc1ccc2nc(-c3n[nH]c4ccc(C(=O)N[C@H]5CC[C@H](NC(=O)OC(C)(C)C)C5)cc34)[nH]c2c1
InChIInChI=1S/C26H30N6O4/c1-26(2,3)36-25(34)28-16-7-6-15(12-16)27-24(33)14-5-9-19-18(11-14)22(32-31-19)23-29-20-10-8-17(35-4)13-21(20)30-23/h5,8-11,13,15-16H,6-7,12H2,1-4H3,(H,27,33)(H,28,34)(H,29,30)(H,31,32)/t15-,16-/m0/s1
InChIKeySRDXOJVKDCHZMS-HOTGVXAUSA-N
MW490.56 g/mol
LogP4.29
Rot. Bonds5

About tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate

tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate (PubChem CID 172633319) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate
PubChem CID172633319
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Nametert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate
SMILESCOc1ccc2nc(-c3n[nH]c4ccc(C(=O)N[C@H]5CC[C@H](NC(=O)OC(C)(C)C)C5)cc34)[nH]c2c1
InChIInChI=1S/C26H30N6O4/c1-26(2,3)36-25(34)28-16-7-6-15(12-16)27-24(33)14-5-9-19-18(11-14)22(32-31-19)23-29-20-10-8-17(35-4)13-21(20)30-23/h5,8-11,13,15-16H,6-7,12H2,1-4H3,(H,27,33)(H,28,34)(H,29,30)(H,31,32)/t15-,16-/m0/s1
InChIKeySRDXOJVKDCHZMS-HOTGVXAUSA-N
XLogP4.29
TPSA134.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-[[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]methyl]cyclohexyl]carbamate
CID 171674285
tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate
CID 86608909
2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820215
6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 163227921
1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 135820363
tert-butyl N-[(1S,3S)-3-[(4-tert-butylbenzoyl)amino]cyclohexyl]carbamate
CID 124675025
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
tert-butyl N-[4-[[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamoyl]phenyl]carbamate
CID 118034097
tert-butyl N-[3-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1H-indazole-5-carbonyl]amino]propyl]carbamate
CID 172633260
tert-butyl N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]carbamate
CID 131748686
4-[[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 135820311
1-(2,4-dimethoxyphenyl)-3-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]urea
CID 135820095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate (CID 172633319) is tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate is COc1ccc2nc(-c3n[nH]c4ccc(C(=O)N[C@H]5CC[C@H](NC(=O)OC(C)(C)C)C5)cc34)[nH]c2c1.
What is the InChIKey of tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate?
The InChIKey is SRDXOJVKDCHZMS-HOTGVXAUSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-26(2,3)36-25(34)28-16-7-6-15(12-16)27-24(33)14-5-9-19-18(11-14)22(32-31-19)23-29-20-10-8-17(35-4)13-21(20)30-23/h5,8-11,13,15-16H,6-7,12H2,1-4H3,(H,27,33)(H,28,34)(H,29,30)(H,31,32)/t15-,16-/m0/s1.
What are the key properties of tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate?
tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate has a molecular weight of 490.56 g/mol, XLogP of 4.29, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S)-3-[[3-(6-methoxy-1H-benzimidazol-2-yl)-1H-indazole-5-carbonyl]amino]cyclopentyl]carbamate is sourced from PubChem (CID 172633319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).