1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one

C23H18ClN5O2 — CID 56603413

IUPAC1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one
SMILESO=C1OC2(CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c2ncccc21
InChIInChI=1S/C23H18ClN5O2/c24-15-4-5-17-18(12-15)28-21(27-17)14-3-6-19(26-13-14)29-10-7-23(8-11-29)20-16(22(30)31-23)2-1-9-25-20/h1-6,9,12-13H,7-8,10-11H2,(H,27,28)
InChIKeyAHCMYYHZZIEMIL-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-b]pyridine-7,4'-piperidine]-5-one

1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one (PubChem CID 56603413) 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-b]pyridine-7,4'-piperidine]-5-one.

Molecular Properties

Compound Name1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one
PubChem CID56603413
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-b]pyridine-7,4'-piperidine]-5-one
SMILESO=C1OC2(CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c2ncccc21
InChIInChI=1S/C23H18ClN5O2/c24-15-4-5-17-18(12-15)28-21(27-17)14-3-6-19(26-13-14)29-10-7-23(8-11-29)20-16(22(30)31-23)2-1-9-25-20/h1-6,9,12-13H,7-8,10-11H2,(H,27,28)
InChIKeyAHCMYYHZZIEMIL-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-b]pyridine-7,4'-piperidine]-5-one?
The IUPAC name of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one (CID 56603413) is 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one.
What is the SMILES notation for 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one?
The canonical SMILES for 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one is O=C1OC2(CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c2ncccc21.
What is the InChIKey of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one?
The InChIKey is AHCMYYHZZIEMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-15-4-5-17-18(12-15)28-21(27-17)14-3-6-19(26-13-14)29-10-7-23(8-11-29)20-16(22(30)31-23)2-1-9-25-20/h1-6,9,12-13H,7-8,10-11H2,(H,27,28).
What are the key properties of 1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one?
1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-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-b]pyridine-7,4'-piperidine]-5-one is sourced from PubChem (CID 56603413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).