N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C21H26N4O2 — CID 4973866

IUPACN-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NC4CCCC4)cc(C)nc23)cc1OC
InChIInChI=1S/C21H26N4O2/c1-13-11-19(23-16-7-5-6-8-16)25-21(22-13)20(14(2)24-25)15-9-10-17(26-3)18(12-15)27-4/h9-12,16,23H,5-8H2,1-4H3
InChIKeyBOUDAPBUAGZQPU-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.38
Rot. Bonds5

About N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4973866) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4973866
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NC4CCCC4)cc(C)nc23)cc1OC
InChIInChI=1S/C21H26N4O2/c1-13-11-19(23-16-7-5-6-8-16)25-21(22-13)20(14(2)24-25)15-9-10-17(26-3)18(12-15)27-4/h9-12,16,23H,5-8H2,1-4H3
InChIKeyBOUDAPBUAGZQPU-UHFFFAOYSA-N
XLogP4.38
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pexacerfont
CID 9884366
5H-Cyclopenta(d)pyrazolo(1,5-a)pyrimidin-8-amine, 3-(2-chloro-4-methoxyphenyl)-N-(1-ethylpropyl)-6,7-dihydro-2-methyl-
CID 9801039
Bms-561388
CID 9908904
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
3-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propyl-diethyl-amine
CID 6622924
Pyrazolo[1,5-a]-1,3,5-triazine, 12-15
CID 42618178
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
5-(1,3-Benzodioxol-5-Ylmethyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 68106001
3-(3,4-dimethoxyphenyl)-N5-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 145996543

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4973866) is N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(NC4CCCC4)cc(C)nc23)cc1OC.
What is the InChIKey of N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BOUDAPBUAGZQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-11-19(23-16-7-5-6-8-16)25-21(22-13)20(14(2)24-25)15-9-10-17(26-3)18(12-15)27-4/h9-12,16,23H,5-8H2,1-4H3.
What are the key properties of N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 366.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4973866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).