6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide

C23H18FN5O3 — CID 118016579

IUPAC6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C#N)cc2)CC32CC2)cc1F
InChIInChI=1S/C23H18FN5O3/c1-32-17-7-6-15(10-16(17)24)29-20-18(19(27-29)21(26)30)23(8-9-23)12-28(22(20)31)14-4-2-13(11-25)3-5-14/h2-7,10H,8-9,12H2,1H3,(H2,26,30)
InChIKeyOTIXZMNYUOMRKU-UHFFFAOYSA-N
MW431.43 g/mol
LogP2.68
Rot. Bonds4

About 6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide

6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide (PubChem CID 118016579) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
PubChem CID118016579
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC Name6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C#N)cc2)CC32CC2)cc1F
InChIInChI=1S/C23H18FN5O3/c1-32-17-7-6-15(10-16(17)24)29-20-18(19(27-29)21(26)30)23(8-9-23)12-28(22(20)31)14-4-2-13(11-25)3-5-14/h2-7,10H,8-9,12H2,1H3,(H2,26,30)
InChIKeyOTIXZMNYUOMRKU-UHFFFAOYSA-N
XLogP2.68
TPSA114.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?
The IUPAC name of 6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide (CID 118016579) is 6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide.
What is the SMILES notation for 6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?
The canonical SMILES for 6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C#N)cc2)CC32CC2)cc1F.
What is the InChIKey of 6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?
The InChIKey is OTIXZMNYUOMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-32-17-7-6-15(10-16(17)24)29-20-18(19(27-29)21(26)30)23(8-9-23)12-28(22(20)31)14-4-2-13(11-25)3-5-14/h2-7,10H,8-9,12H2,1H3,(H2,26,30).
What are the key properties of 6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?
6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide has a molecular weight of 431.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-1-(3-fluoro-4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide is sourced from PubChem (CID 118016579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).