1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide

C23H22FN5O2 — CID 137284812

IUPAC1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C23H22FN5O2/c1-14(2)28(13-21-26-19-10-6-4-8-16(19)22(30)27-21)23(31)17-12-25-29(15(17)3)20-11-7-5-9-18(20)24/h4-12,14H,13H2,1-3H3,(H,26,27,30)
InChIKeyBRBXKDAHSMEGFA-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.61
Rot. Bonds5

About 1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide

1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 137284812) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID137284812
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C23H22FN5O2/c1-14(2)28(13-21-26-19-10-6-4-8-16(19)22(30)27-21)23(31)17-12-25-29(15(17)3)20-11-7-5-9-18(20)24/h4-12,14H,13H2,1-3H3,(H,26,27,30)
InChIKeyBRBXKDAHSMEGFA-UHFFFAOYSA-N
XLogP3.61
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137305204
4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137287776
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-propan-2-yloxypyridine-3-carboxamide
CID 135973705
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(pyrazol-1-ylmethyl)benzamide
CID 137309163
2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
CID 119202793
4-(methoxymethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137294556
3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962295
2-[[(3,5-difluoro-4-pyridinyl)methyl-propan-2-ylamino]methyl]-3H-quinazolin-4-one
CID 138027653

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide (CID 137284812) is 1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is BRBXKDAHSMEGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-14(2)28(13-21-26-19-10-6-4-8-16(19)22(30)27-21)23(31)17-12-25-29(15(17)3)20-11-7-5-9-18(20)24/h4-12,14H,13H2,1-3H3,(H,26,27,30).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137284812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).