N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C65H65ClN14O4 — CID 118255791

IUPACN-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(Cl)cc4)cc(C)nc23)cc1OC.COc1ccc(-c2c(C)nn3c(NCc4cccnc4)cc(C)nc23)cc1.COc1ccc(-c2c(C)nn3c(NCc4ccncc4)cc(C)nc23)cc1
InChIInChI=1S/C23H23ClN4O2.2C21H21N5O/c1-14-11-21(25-13-16-5-8-18(24)9-6-16)28-23(26-14)22(15(2)27-28)17-7-10-19(29-3)20(12-17)30-4;1-14-12-19(23-13-16-8-10-22-11-9-16)26-21(24-14)20(15(2)25-26)17-4-6-18(27-3)7-5-17;1-14-11-19(23-13-16-5-4-10-22-12-16)26-21(24-14)20(15(2)25-26)17-6-8-18(27-3)9-7-17/h5-12,25H,13H2,1-4H3;2*4-12,23H,13H2,1-3H3
InChIKeyPTSILNCRGNHFRI-UHFFFAOYSA-N
MW1141.78 g/mol
LogP13.35
Rot. Bonds16

About N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 118255791) has the molecular formula C65H65ClN14O4 and a molecular weight of 1141.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID118255791
Molecular FormulaC65H65ClN14O4
Molecular Weight1141.78 g/mol
Exact Mass1140.50
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(Cl)cc4)cc(C)nc23)cc1OC.COc1ccc(-c2c(C)nn3c(NCc4cccnc4)cc(C)nc23)cc1.COc1ccc(-c2c(C)nn3c(NCc4ccncc4)cc(C)nc23)cc1
InChIInChI=1S/C23H23ClN4O2.2C21H21N5O/c1-14-11-21(25-13-16-5-8-18(24)9-6-16)28-23(26-14)22(15(2)27-28)17-7-10-19(29-3)20(12-17)30-4;1-14-12-19(23-13-16-8-10-22-11-9-16)26-21(24-14)20(15(2)25-26)17-4-6-18(27-3)7-5-17;1-14-11-19(23-13-16-5-4-10-22-12-16)26-21(24-14)20(15(2)25-26)17-6-8-18(27-3)9-7-17/h5-12,25H,13H2,1-4H3;2*4-12,23H,13H2,1-3H3
InChIKeyPTSILNCRGNHFRI-UHFFFAOYSA-N
XLogP13.35
TPSA189.36 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001141.78
LogP ≤ 513.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 118255791) is N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(NCc4ccc(Cl)cc4)cc(C)nc23)cc1OC.COc1ccc(-c2c(C)nn3c(NCc4cccnc4)cc(C)nc23)cc1.COc1ccc(-c2c(C)nn3c(NCc4ccncc4)cc(C)nc23)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PTSILNCRGNHFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2.2C21H21N5O/c1-14-11-21(25-13-16-5-8-18(24)9-6-16)28-23(26-14)22(15(2)27-28)17-7-10-19(29-3)20(12-17)30-4;1-14-12-19(23-13-16-8-10-22-11-9-16)26-21(24-14)20(15(2)25-26)17-4-6-18(27-3)7-5-17;1-14-11-19(23-13-16-5-4-10-22-12-16)26-21(24-14)20(15(2)25-26)17-6-8-18(27-3)9-7-17/h5-12,25H,13H2,1-4H3;2*4-12,23H,13H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1141.78 g/mol, XLogP of 13.35, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 118255791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).