8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine

C26H30N6O — CID 122648763

IUPAC8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine
SMILESCOc1ccccc1-c1cccc2cnc(Nc3cc(C4CCNCC4)nn3C(C)C)nc12
InChIInChI=1S/C26H30N6O/c1-17(2)32-24(15-22(31-32)18-11-13-27-14-12-18)29-26-28-16-19-7-6-9-21(25(19)30-26)20-8-4-5-10-23(20)33-3/h4-10,15-18,27H,11-14H2,1-3H3,(H,28,29,30)
InChIKeyJNASOPFHWAIQII-UHFFFAOYSA-N
MW442.57 g/mol
LogP5.29
Rot. Bonds6

About 8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine

8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine (PubChem CID 122648763) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine
PubChem CID122648763
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine
SMILESCOc1ccccc1-c1cccc2cnc(Nc3cc(C4CCNCC4)nn3C(C)C)nc12
InChIInChI=1S/C26H30N6O/c1-17(2)32-24(15-22(31-32)18-11-13-27-14-12-18)29-26-28-16-19-7-6-9-21(25(19)30-26)20-8-4-5-10-23(20)33-3/h4-10,15-18,27H,11-14H2,1-3H3,(H,28,29,30)
InChIKeyJNASOPFHWAIQII-UHFFFAOYSA-N
XLogP5.29
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine?
The IUPAC name of 8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine (CID 122648763) is 8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine.
What is the SMILES notation for 8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine?
The canonical SMILES for 8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine is COc1ccccc1-c1cccc2cnc(Nc3cc(C4CCNCC4)nn3C(C)C)nc12.
What is the InChIKey of 8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine?
The InChIKey is JNASOPFHWAIQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-17(2)32-24(15-22(31-32)18-11-13-27-14-12-18)29-26-28-16-19-7-6-9-21(25(19)30-26)20-8-4-5-10-23(20)33-3/h4-10,15-18,27H,11-14H2,1-3H3,(H,28,29,30).
What are the key properties of 8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine?
8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine has a molecular weight of 442.57 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-N-(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)quinazolin-2-amine is sourced from PubChem (CID 122648763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).