2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine

C21H17Cl2N5 — CID 11212017

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESClc1ccc(-c2c3ncnc(NCC4CC4)c3nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C21H17Cl2N5/c22-15-9-7-14(8-10-15)20-18-19(21(26-12-25-18)24-11-13-5-6-13)27-28(20)17-4-2-1-3-16(17)23/h1-4,7-10,12-13H,5-6,11H2,(H,24,25,26)
InChIKeyJLUYJRMRZNCWKE-UHFFFAOYSA-N
MW410.31 g/mol
LogP5.61
Rot. Bonds5

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine

2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 11212017) has the molecular formula C21H17Cl2N5 and a molecular weight of 410.31 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID11212017
Molecular FormulaC21H17Cl2N5
Molecular Weight410.31 g/mol
Exact Mass409.09
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESClc1ccc(-c2c3ncnc(NCC4CC4)c3nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C21H17Cl2N5/c22-15-9-7-14(8-10-15)20-18-19(21(26-12-25-18)24-11-13-5-6-13)27-28(20)17-4-2-1-3-16(17)23/h1-4,7-10,12-13H,5-6,11H2,(H,24,25,26)
InChIKeyJLUYJRMRZNCWKE-UHFFFAOYSA-N
XLogP5.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.31
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
2-(4-chlorophenyl)-6-phenyl-9H-purine
CID 11529627
2,6-bis(4-chlorophenyl)-9H-purine
CID 11660141
9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)-9H-purin-6-amine
CID 25190876
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70981589
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3804160
1-Benzyl-4,7-dichloro-1H-imidazo[4,5-d]pyridazine
CID 224703
1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 24971415
1-(3,5-dichlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093258

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 11212017) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine is Clc1ccc(-c2c3ncnc(NCC4CC4)c3nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is JLUYJRMRZNCWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5/c22-15-9-7-14(8-10-15)20-18-19(21(26-12-25-18)24-11-13-5-6-13)27-28(20)17-4-2-1-3-16(17)23/h1-4,7-10,12-13H,5-6,11H2,(H,24,25,26).
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 410.31 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-(cyclopropylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 11212017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).