8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C28H31N11O — CID 71664474

IUPAC8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5cnn(CCN6CCOCC6)c5)nc3-4)cn2)cn1
InChIInChI=1S/C28H31N11O/c1-36-17-21(15-31-36)23-5-4-20(14-29-23)27-25-24(35-37(27)2)6-3-19-13-30-28(34-26(19)25)33-22-16-32-39(18-22)8-7-38-9-11-40-12-10-38/h4-5,13-18H,3,6-12H2,1-2H3,(H,30,33,34)
InChIKeyHJERFKFVQHRAML-UHFFFAOYSA-N
MW537.63 g/mol
LogP2.71
Rot. Bonds7

About 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 71664474) has the molecular formula C28H31N11O and a molecular weight of 537.63 g/mol. Its IUPAC name is 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID71664474
Molecular FormulaC28H31N11O
Molecular Weight537.63 g/mol
Exact Mass537.27
IUPAC Name8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5cnn(CCN6CCOCC6)c5)nc3-4)cn2)cn1
InChIInChI=1S/C28H31N11O/c1-36-17-21(15-31-36)23-5-4-20(14-29-23)27-25-24(35-37(27)2)6-3-19-13-30-28(34-26(19)25)33-22-16-32-39(18-22)8-7-38-9-11-40-12-10-38/h4-5,13-18H,3,6-12H2,1-2H3,(H,30,33,34)
InChIKeyHJERFKFVQHRAML-UHFFFAOYSA-N
XLogP2.71
TPSA116.63 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 71664474) is 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is Cn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5cnn(CCN6CCOCC6)c5)nc3-4)cn2)cn1.
What is the InChIKey of 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is HJERFKFVQHRAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N11O/c1-36-17-21(15-31-36)23-5-4-20(14-29-23)27-25-24(35-37(27)2)6-3-19-13-30-28(34-26(19)25)33-22-16-32-39(18-22)8-7-38-9-11-40-12-10-38/h4-5,13-18H,3,6-12H2,1-2H3,(H,30,33,34).
What are the key properties of 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 537.63 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 71664474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).