(4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C15H12ClFN4O — CID 142576999

IUPAC(4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C15H12ClFN4O/c16-11-3-9(17)4-13-10(11)5-14(19-13)15(22)21-2-1-12-8(7-21)6-18-20-12/h3-6,19H,1-2,7H2,(H,18,20)
InChIKeyOWSLRWICZPUBQM-UHFFFAOYSA-N
MW318.74 g/mol
LogP2.88
Rot. Bonds1

About (4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

(4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 142576999) has the molecular formula C15H12ClFN4O and a molecular weight of 318.74 g/mol. Its IUPAC name is (4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID142576999
Molecular FormulaC15H12ClFN4O
Molecular Weight318.74 g/mol
Exact Mass318.07
IUPAC Name(4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C15H12ClFN4O/c16-11-3-9(17)4-13-10(11)5-14(19-13)15(22)21-2-1-12-8(7-21)6-18-20-12/h3-6,19H,1-2,7H2,(H,18,20)
InChIKeyOWSLRWICZPUBQM-UHFFFAOYSA-N
XLogP2.88
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 142576999) is (4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCc2[nH]ncc2C1.
What is the InChIKey of (4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is OWSLRWICZPUBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O/c16-11-3-9(17)4-13-10(11)5-14(19-13)15(22)21-2-1-12-8(7-21)6-18-20-12/h3-6,19H,1-2,7H2,(H,18,20).
What are the key properties of (4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
(4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 318.74 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-fluoro-1H-indol-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 142576999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).