5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine

C24H32ClN5O — CID 56666769

IUPAC5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1c(C2CCCC2)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
InChIInChI=1S/C24H32ClN5O/c1-4-14-29(15-5-2)24-22(17-8-6-7-9-17)23(28-21-12-13-26-30(21)24)27-20-11-10-18(31-3)16-19(20)25/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,27,28)
InChIKeyJBEUTXLYRIKNHE-UHFFFAOYSA-N
MW442.01 g/mol
LogP6.42
Rot. Bonds9

About 5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 56666769) has the molecular formula C24H32ClN5O and a molecular weight of 442.01 g/mol. Its IUPAC name is 5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID56666769
Molecular FormulaC24H32ClN5O
Molecular Weight442.01 g/mol
Exact Mass441.23
IUPAC Name5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1c(C2CCCC2)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
InChIInChI=1S/C24H32ClN5O/c1-4-14-29(15-5-2)24-22(17-8-6-7-9-17)23(28-21-12-13-26-30(21)24)27-20-11-10-18(31-3)16-19(20)25/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,27,28)
InChIKeyJBEUTXLYRIKNHE-UHFFFAOYSA-N
XLogP6.42
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.01
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 56666769) is 5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine is CCCN(CCC)c1c(C2CCCC2)c(Nc2ccc(OC)cc2Cl)nc2ccnn12.
What is the InChIKey of 5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is JBEUTXLYRIKNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O/c1-4-14-29(15-5-2)24-22(17-8-6-7-9-17)23(28-21-12-13-26-30(21)24)27-20-11-10-18(31-3)16-19(20)25/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,27,28).
What are the key properties of 5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 442.01 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 56666769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).