4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol

C22H22FN5O — CID 91447738

IUPAC4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol
SMILESCc1ccc2c(Nc3ccn[nH]3)nc(C(CCCO)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H22FN5O/c1-14-4-9-18-19(13-14)25-21(27-22(18)26-20-10-11-24-28-20)17(3-2-12-29)15-5-7-16(23)8-6-15/h4-11,13,17,29H,2-3,12H2,1H3,(H2,24,25,26,27,28)
InChIKeyBUYDHPZDHNCMBN-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.45
Rot. Bonds7

About 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol

4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol (PubChem CID 91447738) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol
PubChem CID91447738
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol
SMILESCc1ccc2c(Nc3ccn[nH]3)nc(C(CCCO)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H22FN5O/c1-14-4-9-18-19(13-14)25-21(27-22(18)26-20-10-11-24-28-20)17(3-2-12-29)15-5-7-16(23)8-6-15/h4-11,13,17,29H,2-3,12H2,1H3,(H2,24,25,26,27,28)
InChIKeyBUYDHPZDHNCMBN-UHFFFAOYSA-N
XLogP4.45
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol with MolForge

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Related Compounds

(S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833308
(R)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833309
Ac-430
CID 46892373
2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 9814443
2-[[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
CID 46207055
2-[[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
CID 68623896
3-[[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]propan-1-ol
CID 70889439
2-(4-fluorophenyl)-N-(1H-pyrazol-3-yl)quinazolin-4-amine
CID 70693803
N-[3-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]prop-2-enamide
CID 122186132
N-[3-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide
CID 122186135
5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 164628478
N-[2-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide
CID 122186134

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol?
The IUPAC name of 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol (CID 91447738) is 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol?
The canonical SMILES for 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol is Cc1ccc2c(Nc3ccn[nH]3)nc(C(CCCO)c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol?
The InChIKey is BUYDHPZDHNCMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-14-4-9-18-19(13-14)25-21(27-22(18)26-20-10-11-24-28-20)17(3-2-12-29)15-5-7-16(23)8-6-15/h4-11,13,17,29H,2-3,12H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol?
4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol has a molecular weight of 391.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-[7-methyl-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]butan-1-ol is sourced from PubChem (CID 91447738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).