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

C26H21FN6O2 — CID 169231261

IUPAC3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)c1nc(C)ccc1F
InChIInChI=1S/C26H21FN6O2/c1-15-9-10-19(27)25(30-15)26(34)31-21-11-17-20(12-22(21)35-3)28-14-29-24(17)18-13-33(2)32-23(18)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,31,34)
InChIKeyLOZRDHAHPPWQKC-UHFFFAOYSA-N
MW468.49 g/mol
LogP4.80
Rot. Bonds5

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

3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide (PubChem CID 169231261) has the molecular formula C26H21FN6O2 and a molecular weight of 468.49 g/mol. Its IUPAC name is 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide
PubChem CID169231261
Molecular FormulaC26H21FN6O2
Molecular Weight468.49 g/mol
Exact Mass468.17
IUPAC Name3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)c1nc(C)ccc1F
InChIInChI=1S/C26H21FN6O2/c1-15-9-10-19(27)25(30-15)26(34)31-21-11-17-20(12-22(21)35-3)28-14-29-24(17)18-13-33(2)32-23(18)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,31,34)
InChIKeyLOZRDHAHPPWQKC-UHFFFAOYSA-N
XLogP4.80
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

US9951086, Example 68
CID 118173098
(E)-N-[4-[(1-benzylindazol-5-yl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 134154754
2,6-difluoro-N-[3-[3-[2-(3-methoxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44528925
N-(2,6-diethylphenyl)-8-(2-methoxyanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 44555761
1-methyl-8-(5-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 54585267
N-(7-Methoxy-6-quinolinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056265
4-(3-Fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554872
4-(2-Fluoro-4-methoxyphenyl)-7-(2-(2-methylpyrimidin-5-yl)ethyl)quinoline-2-carboxamide
CID 89554892
US9951086, Example 220
CID 118172527
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833
US9951086, Example 12
CID 118172938

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide (CID 169231261) is 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)c1nc(C)ccc1F.
What is the InChIKey of 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is LOZRDHAHPPWQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O2/c1-15-9-10-19(27)25(30-15)26(34)31-21-11-17-20(12-22(21)35-3)28-14-29-24(17)18-13-33(2)32-23(18)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,31,34).
What are the key properties of 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide?
3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 468.49 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 169231261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).