4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide

C25H25FN6O3 — CID 171646287

IUPAC4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide
SMILESCc1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)c(F)cc1Oc1ncnc2ccc(C(N)=O)cc12
InChIInChI=1S/C25H25FN6O3/c1-14-7-16(9-22(33)31-17-11-30-32(12-17)25(2,3)4)19(26)10-21(14)35-24-18-8-15(23(27)34)5-6-20(18)28-13-29-24/h5-8,10-13H,9H2,1-4H3,(H2,27,34)(H,31,33)
InChIKeyUCYCYNOAFFMKAP-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.10
Rot. Bonds6

About 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide

4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide (PubChem CID 171646287) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide
PubChem CID171646287
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Name4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide
SMILESCc1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)c(F)cc1Oc1ncnc2ccc(C(N)=O)cc12
InChIInChI=1S/C25H25FN6O3/c1-14-7-16(9-22(33)31-17-11-30-32(12-17)25(2,3)4)19(26)10-21(14)35-24-18-8-15(23(27)34)5-6-20(18)28-13-29-24/h5-8,10-13H,9H2,1-4H3,(H2,27,34)(H,31,33)
InChIKeyUCYCYNOAFFMKAP-UHFFFAOYSA-N
XLogP4.10
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide with MolForge

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Related Compounds

4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-2-chloro-6-methylphenoxy]quinoline-6-carboxamide
CID 171646240
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]-7-chloro-N-methylquinoline-6-carboxamide
CID 174367060
N-(1-tert-butylpyrazol-4-yl)-2-[2-fluoro-3-methyl-4-(6-piperidin-4-yloxyquinazolin-4-yl)oxyphenyl]acetamide
CID 171646041
N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide
CID 171646076
N-(1-tert-butylpyrazol-4-yl)-2-[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylquinolin-4-yl]oxy-2-fluoro-5-methylphenyl]acetamide
CID 171645575
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-3-fluoro-2-methylphenoxy]quinoline-6-carboxylic acid
CID 174373726
N-(1-tert-butylpyrazol-4-yl)-2-[2,5-dimethyl-4-(6-methylsulfonylquinolin-4-yl)oxyphenyl]acetamide
CID 171646024
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-2-fluoro-6-methylphenoxy]-7-fluoroquinoline-6-carboxamide
CID 171645531
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-2-fluoro-6-methylphenoxy]-7-chloroquinoline-6-carboxamide
CID 174367350
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-3-fluoro-2-methylphenoxy]-N-ethylquinoline-6-carboxamide
CID 171645503
N-(1-tert-butylpyrazol-4-yl)-2-[3-chloro-4-[6-(1-ethylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetamide
CID 171646183
1-[4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylphenoxy]quinolin-6-yl]cyclobutane-1-carboxamide
CID 171645405

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide?
The IUPAC name of 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide (CID 171646287) is 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide.
What is the SMILES notation for 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide?
The canonical SMILES for 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide is Cc1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)c(F)cc1Oc1ncnc2ccc(C(N)=O)cc12.
What is the InChIKey of 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide?
The InChIKey is UCYCYNOAFFMKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-14-7-16(9-22(33)31-17-11-30-32(12-17)25(2,3)4)19(26)10-21(14)35-24-18-8-15(23(27)34)5-6-20(18)28-13-29-24/h5-8,10-13H,9H2,1-4H3,(H2,27,34)(H,31,33).
What are the key properties of 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide?
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]quinazoline-6-carboxamide is sourced from PubChem (CID 171646287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).