7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine

C19H19ClN6O — CID 90104061

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine
SMILESCOc1ccc(Cn2cc3nc(-c4cnn(C(C)C)c4)nc(Cl)c3n2)cc1
InChIInChI=1S/C19H19ClN6O/c1-12(2)26-10-14(8-21-26)19-22-16-11-25(24-17(16)18(20)23-19)9-13-4-6-15(27-3)7-5-13/h4-8,10-12H,9H2,1-3H3
InChIKeyUPEHJPPXAMTGOS-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.98
Rot. Bonds5

About 7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine

7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine (PubChem CID 90104061) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine
PubChem CID90104061
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine
SMILESCOc1ccc(Cn2cc3nc(-c4cnn(C(C)C)c4)nc(Cl)c3n2)cc1
InChIInChI=1S/C19H19ClN6O/c1-12(2)26-10-14(8-21-26)19-22-16-11-25(24-17(16)18(20)23-19)9-13-4-6-15(27-3)7-5-13/h4-8,10-12H,9H2,1-3H3
InChIKeyUPEHJPPXAMTGOS-UHFFFAOYSA-N
XLogP3.98
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine (CID 90104061) is 7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine is COc1ccc(Cn2cc3nc(-c4cnn(C(C)C)c4)nc(Cl)c3n2)cc1.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine?
The InChIKey is UPEHJPPXAMTGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-12(2)26-10-14(8-21-26)19-22-16-11-25(24-17(16)18(20)23-19)9-13-4-6-15(27-3)7-5-13/h4-8,10-12H,9H2,1-3H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine?
7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine has a molecular weight of 382.86 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 90104061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).