5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C29H26F2N6O — CID 168736932

IUPAC5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOc1c(F)cc(-c2c3c(nn2-c2c(C)cccc2F)CCN(c2ncc(C4CC4)cn2)C3)c2cc[nH]c12
InChIInChI=1S/C29H26F2N6O/c1-16-4-3-5-22(30)26(16)37-27(20-12-23(31)28(38-2)25-19(20)8-10-32-25)21-15-36(11-9-24(21)35-37)29-33-13-18(14-34-29)17-6-7-17/h3-5,8,10,12-14,17,32H,6-7,9,11,15H2,1-2H3
InChIKeyPIFYEUSVDLBVNT-UHFFFAOYSA-N
MW512.56 g/mol
LogP5.85
Rot. Bonds5

About 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 168736932) has the molecular formula C29H26F2N6O and a molecular weight of 512.56 g/mol. Its IUPAC name is 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID168736932
Molecular FormulaC29H26F2N6O
Molecular Weight512.56 g/mol
Exact Mass512.21
IUPAC Name5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOc1c(F)cc(-c2c3c(nn2-c2c(C)cccc2F)CCN(c2ncc(C4CC4)cn2)C3)c2cc[nH]c12
InChIInChI=1S/C29H26F2N6O/c1-16-4-3-5-22(30)26(16)37-27(20-12-23(31)28(38-2)25-19(20)8-10-32-25)21-15-36(11-9-24(21)35-37)29-33-13-18(14-34-29)17-6-7-17/h3-5,8,10,12-14,17,32H,6-7,9,11,15H2,1-2H3
InChIKeyPIFYEUSVDLBVNT-UHFFFAOYSA-N
XLogP5.85
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 168736932) is 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COc1c(F)cc(-c2c3c(nn2-c2c(C)cccc2F)CCN(c2ncc(C4CC4)cn2)C3)c2cc[nH]c12.
What is the InChIKey of 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is PIFYEUSVDLBVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N6O/c1-16-4-3-5-22(30)26(16)37-27(20-12-23(31)28(38-2)25-19(20)8-10-32-25)21-15-36(11-9-24(21)35-37)29-33-13-18(14-34-29)17-6-7-17/h3-5,8,10,12-14,17,32H,6-7,9,11,15H2,1-2H3.
What are the key properties of 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 512.56 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropylpyrimidin-2-yl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-2-(2-fluoro-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 168736932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).