5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide

C25H19FN6O2 — CID 169231002

IUPAC5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)c1ccc(F)cn1
InChIInChI=1S/C25H19FN6O2/c1-32-13-18(23(31-32)15-6-4-3-5-7-15)24-17-10-21(22(34-2)11-20(17)28-14-29-24)30-25(33)19-9-8-16(26)12-27-19/h3-14H,1-2H3,(H,30,33)
InChIKeyZLZIBUJTXOVHAP-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.49
Rot. Bonds5

About 5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide

5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide (PubChem CID 169231002) has the molecular formula C25H19FN6O2 and a molecular weight of 454.47 g/mol. Its IUPAC name is 5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide
PubChem CID169231002
Molecular FormulaC25H19FN6O2
Molecular Weight454.47 g/mol
Exact Mass454.16
IUPAC Name5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)c1ccc(F)cn1
InChIInChI=1S/C25H19FN6O2/c1-32-13-18(23(31-32)15-6-4-3-5-7-15)24-17-10-21(22(34-2)11-20(17)28-14-29-24)30-25(33)19-9-8-16(26)12-27-19/h3-14H,1-2H3,(H,30,33)
InChIKeyZLZIBUJTXOVHAP-UHFFFAOYSA-N
XLogP4.49
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide (CID 169231002) is 5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide?
The InChIKey is ZLZIBUJTXOVHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O2/c1-32-13-18(23(31-32)15-6-4-3-5-7-15)24-17-10-21(22(34-2)11-20(17)28-14-29-24)30-25(33)19-9-8-16(26)12-27-19/h3-14H,1-2H3,(H,30,33).
What are the key properties of 5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide?
5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide has a molecular weight of 454.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169231002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).