1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one

C23H18ClN5O2 — CID 56603464

IUPAC1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c2cnccc21
InChIInChI=1S/C23H18ClN5O2/c24-15-2-3-18-19(11-15)28-21(27-18)14-1-4-20(26-12-14)29-9-6-23(7-10-29)17-13-25-8-5-16(17)22(30)31-23/h1-5,8,11-13H,6-7,9-10H2,(H,27,28)
InChIKeyCDRVAFCXKNYLOY-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.34
Rot. Bonds2

About 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one

1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one (PubChem CID 56603464) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one
PubChem CID56603464
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c2cnccc21
InChIInChI=1S/C23H18ClN5O2/c24-15-2-3-18-19(11-15)28-21(27-18)14-1-4-20(26-12-14)29-9-6-23(7-10-29)17-13-25-8-5-16(17)22(30)31-23/h1-5,8,11-13H,6-7,9-10H2,(H,27,28)
InChIKeyCDRVAFCXKNYLOY-UHFFFAOYSA-N
XLogP4.34
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one (CID 56603464) is 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one is O=C1OC2(CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c2cnccc21.
What is the InChIKey of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one?
The InChIKey is CDRVAFCXKNYLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-15-2-3-18-19(11-15)28-21(27-18)14-1-4-20(26-12-14)29-9-6-23(7-10-29)17-13-25-8-5-16(17)22(30)31-23/h1-5,8,11-13H,6-7,9-10H2,(H,27,28).
What are the key properties of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one?
1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one has a molecular weight of 431.88 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one is sourced from PubChem (CID 56603464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).