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

C20H15ClN6O — CID 90104707

IUPAC7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
SMILESCOc1ccc(Cn2cc3nc(-c4ccc5[nH]ncc5c4)nc(Cl)c3n2)cc1
InChIInChI=1S/C20H15ClN6O/c1-28-15-5-2-12(3-6-15)10-27-11-17-18(26-27)19(21)24-20(23-17)13-4-7-16-14(8-13)9-22-25-16/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyCTMSEQBVIGJMSD-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.08
Rot. Bonds4

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

7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine (PubChem CID 90104707) has the molecular formula C20H15ClN6O and a molecular weight of 390.83 g/mol. Its IUPAC name is 7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
PubChem CID90104707
Molecular FormulaC20H15ClN6O
Molecular Weight390.83 g/mol
Exact Mass390.10
IUPAC Name7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
SMILESCOc1ccc(Cn2cc3nc(-c4ccc5[nH]ncc5c4)nc(Cl)c3n2)cc1
InChIInChI=1S/C20H15ClN6O/c1-28-15-5-2-12(3-6-15)10-27-11-17-18(26-27)19(21)24-20(23-17)13-4-7-16-14(8-13)9-22-25-16/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyCTMSEQBVIGJMSD-UHFFFAOYSA-N
XLogP4.08
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine (CID 90104707) is 7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine is COc1ccc(Cn2cc3nc(-c4ccc5[nH]ncc5c4)nc(Cl)c3n2)cc1.
What is the InChIKey of 7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
The InChIKey is CTMSEQBVIGJMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6O/c1-28-15-5-2-12(3-6-15)10-27-11-17-18(26-27)19(21)24-20(23-17)13-4-7-16-14(8-13)9-22-25-16/h2-9,11H,10H2,1H3,(H,22,25).
What are the key properties of 7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine has a molecular weight of 390.83 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 90104707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).