2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

C24H24Cl2N6O — CID 11155935

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(CN1CCOCC1)Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12
InChIInChI=1S/C24H24Cl2N6O/c1-16(14-31-10-12-33-13-11-31)29-24-22-21(27-15-28-24)23(17-6-8-18(25)9-7-17)32(30-22)20-5-3-2-4-19(20)26/h2-9,15-16H,10-14H2,1H3,(H,27,28,29)
InChIKeyJCDXZMQJTANCIZ-UHFFFAOYSA-N
MW483.40 g/mol
LogP4.92
Rot. Bonds6

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 11155935) has the molecular formula C24H24Cl2N6O and a molecular weight of 483.40 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID11155935
Molecular FormulaC24H24Cl2N6O
Molecular Weight483.40 g/mol
Exact Mass482.14
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(CN1CCOCC1)Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12
InChIInChI=1S/C24H24Cl2N6O/c1-16(14-31-10-12-33-13-11-31)29-24-22-21(27-15-28-24)23(17-6-8-18(25)9-7-17)32(30-22)20-5-3-2-4-19(20)26/h2-9,15-16H,10-14H2,1H3,(H,27,28,29)
InChIKeyJCDXZMQJTANCIZ-UHFFFAOYSA-N
XLogP4.92
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 11155935) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is CC(CN1CCOCC1)Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is JCDXZMQJTANCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N6O/c1-16(14-31-10-12-33-13-11-31)29-24-22-21(27-15-28-24)23(17-6-8-18(25)9-7-17)32(30-22)20-5-3-2-4-19(20)26/h2-9,15-16H,10-14H2,1H3,(H,27,28,29).
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 483.40 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 11155935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).