2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C34H31N11O2 — CID 158106312

IUPAC2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccccc23)n[nH]1.O=C(O)Cc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N6O2.C12H11N5/c29-20(30)11-13-5-9-15(10-6-13)23-22-24-17-4-2-1-3-16(17)21(26-22)25-19-12-18(27-28-19)14-7-8-14;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h1-6,9-10,12,14H,7-8,11H2,(H,29,30)(H3,23,24,25,26,27,28);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyFPWMCXLVMZPTET-UHFFFAOYSA-N
MW625.70 g/mol
LogP6.75
Rot. Bonds9

About 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 158106312) has the molecular formula C34H31N11O2 and a molecular weight of 625.70 g/mol. Its IUPAC name is 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID158106312
Molecular FormulaC34H31N11O2
Molecular Weight625.70 g/mol
Exact Mass625.27
IUPAC Name2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccccc23)n[nH]1.O=C(O)Cc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N6O2.C12H11N5/c29-20(30)11-13-5-9-15(10-6-13)23-22-24-17-4-2-1-3-16(17)21(26-22)25-19-12-18(27-28-19)14-7-8-14;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h1-6,9-10,12,14H,7-8,11H2,(H,29,30)(H3,23,24,25,26,27,28);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyFPWMCXLVMZPTET-UHFFFAOYSA-N
XLogP6.75
TPSA182.31 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500625.70
LogP ≤ 56.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylquinazolin-7-yl]piperidine-4-carboxylic acid
CID 145991373
[2-(4-Carboxymethyl-3-methylphenylamino)-quinazolin-4-yl]-(5-methyl-2H-pyrazol-3-yl)-amine
CID 10157091
[2-(4-methoxycarbonylmethyl-3-methylphenylamino)-quinazolin-4-yl]-(5-methyl-2H-pyrazol-3-yl)-amine
CID 10222755
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid
CID 10272305
2-[2-methyl-4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]acetic acid
CID 20604256
2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 23535760
[4-(7-Amino-3-quinolin-3-yl-pyrazolo[1,5-a]pyrimidin-5-yl)-phenyl]-acetic acid
CID 66738932
2-[4-[7-Amino-6-(1-methylpyrazol-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
CID 70216140
2-[4-(7-Amino-6-phenyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
CID 70217008
2-[4-[7-Amino-6-(1-methylpyrazol-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
CID 70217011
[3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 90799700
4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 91132525

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 158106312) is 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccccc23)n[nH]1.O=C(O)Cc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is FPWMCXLVMZPTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2.C12H11N5/c29-20(30)11-13-5-9-15(10-6-13)23-22-24-17-4-2-1-3-16(17)21(26-22)25-19-12-18(27-28-19)14-7-8-14;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h1-6,9-10,12,14H,7-8,11H2,(H,29,30)(H3,23,24,25,26,27,28);2-7H,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 625.70 g/mol, XLogP of 6.75, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 158106312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).