N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide

C24H22N6O2 — CID 169450074

IUPACN-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide
SMILESN[C@H]1CC[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccc(-c6ccoc6)cc5[nH]4)c3c2)C1
InChIInChI=1S/C24H22N6O2/c25-16-3-4-17(11-16)26-24(31)14-2-5-19-18(9-14)22(30-29-19)23-27-20-6-1-13(10-21(20)28-23)15-7-8-32-12-15/h1-2,5-10,12,16-17H,3-4,11,25H2,(H,26,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
InChIKeyDYNPVDYEHXTYCX-IRXDYDNUSA-N
MW426.48 g/mol
LogP3.98
Rot. Bonds4

About N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide

N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide (PubChem CID 169450074) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide
PubChem CID169450074
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide
SMILESN[C@H]1CC[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccc(-c6ccoc6)cc5[nH]4)c3c2)C1
InChIInChI=1S/C24H22N6O2/c25-16-3-4-17(11-16)26-24(31)14-2-5-19-18(9-14)22(30-29-19)23-27-20-6-1-13(10-21(20)28-23)15-7-8-32-12-15/h1-2,5-10,12,16-17H,3-4,11,25H2,(H,26,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
InChIKeyDYNPVDYEHXTYCX-IRXDYDNUSA-N
XLogP3.98
TPSA125.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide (CID 169450074) is N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide is N[C@H]1CC[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccc(-c6ccoc6)cc5[nH]4)c3c2)C1.
What is the InChIKey of N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide?
The InChIKey is DYNPVDYEHXTYCX-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H22N6O2/c25-16-3-4-17(11-16)26-24(31)14-2-5-19-18(9-14)22(30-29-19)23-27-20-6-1-13(10-21(20)28-23)15-7-8-32-12-15/h1-2,5-10,12,16-17H,3-4,11,25H2,(H,26,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide?
N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-aminocyclopentyl]-3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 169450074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).