N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide

C29H31N7O2 — CID 135820498

IUPACN-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3nc4ccc(N5CCC(N6CCCCC6)CC5)cc4[nH]3)c2c1)c1ccco1
InChIInChI=1S/C29H31N7O2/c37-29(26-5-4-16-38-26)30-19-6-8-23-22(17-19)27(34-33-23)28-31-24-9-7-21(18-25(24)32-28)36-14-10-20(11-15-36)35-12-2-1-3-13-35/h4-9,16-18,20H,1-3,10-15H2,(H,30,37)(H,31,32)(H,33,34)
InChIKeyUSCJBUZPUNRXEU-UHFFFAOYSA-N
MW509.61 g/mol
LogP5.41
Rot. Bonds5

About N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide

N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide (PubChem CID 135820498) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide
PubChem CID135820498
Molecular FormulaC29H31N7O2
Molecular Weight509.61 g/mol
Exact Mass509.25
IUPAC NameN-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3nc4ccc(N5CCC(N6CCCCC6)CC5)cc4[nH]3)c2c1)c1ccco1
InChIInChI=1S/C29H31N7O2/c37-29(26-5-4-16-38-26)30-19-6-8-23-22(17-19)27(34-33-23)28-31-24-9-7-21(18-25(24)32-28)36-14-10-20(11-15-36)35-12-2-1-3-13-35/h4-9,16-18,20H,1-3,10-15H2,(H,30,37)(H,31,32)(H,33,34)
InChIKeyUSCJBUZPUNRXEU-UHFFFAOYSA-N
XLogP5.41
TPSA106.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide (CID 135820498) is N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2[nH]nc(-c3nc4ccc(N5CCC(N6CCCCC6)CC5)cc4[nH]3)c2c1)c1ccco1.
What is the InChIKey of N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide?
The InChIKey is USCJBUZPUNRXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2/c37-29(26-5-4-16-38-26)30-19-6-8-23-22(17-19)27(34-33-23)28-31-24-9-7-21(18-25(24)32-28)36-14-10-20(11-15-36)35-12-2-1-3-13-35/h4-9,16-18,20H,1-3,10-15H2,(H,30,37)(H,31,32)(H,33,34).
What are the key properties of N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide?
N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 5.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 135820498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).