2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C23H21FN8O — CID 146592265

IUPAC2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cnn(C)c4)c3F)cc12
InChIInChI=1S/C23H21FN8O/c1-25-23(33)17-11-26-22(29-19-7-8-31(2)30-19)21-16(17)9-18(28-21)15-6-4-5-14(20(15)24)13-10-27-32(3)12-13/h4-12,28H,1-3H3,(H,25,33)(H,26,29,30)
InChIKeyWWOLIICSBHMCCI-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592265) has the molecular formula C23H21FN8O and a molecular weight of 444.47 g/mol. Its IUPAC name is 2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592265
Molecular FormulaC23H21FN8O
Molecular Weight444.47 g/mol
Exact Mass444.18
IUPAC Name2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cnn(C)c4)c3F)cc12
InChIInChI=1S/C23H21FN8O/c1-25-23(33)17-11-26-22(29-19-7-8-31(2)30-19)21-16(17)9-18(28-21)15-6-4-5-14(20(15)24)13-10-27-32(3)12-13/h4-12,28H,1-3H3,(H,25,33)(H,26,29,30)
InChIKeyWWOLIICSBHMCCI-UHFFFAOYSA-N
XLogP3.61
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592265) is 2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cnn(C)c4)c3F)cc12.
What is the InChIKey of 2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is WWOLIICSBHMCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O/c1-25-23(33)17-11-26-22(29-19-7-8-31(2)30-19)21-16(17)9-18(28-21)15-6-4-5-14(20(15)24)13-10-27-32(3)12-13/h4-12,28H,1-3H3,(H,25,33)(H,26,29,30).
What are the key properties of 2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).