4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine

C26H24FN7O2 — CID 66635320

IUPAC4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine
SMILESCOc1ccc(CNc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2N)c(OC)c1
InChIInChI=1S/C26H24FN7O2/c1-35-18-10-9-16(22(12-18)36-2)13-30-24-21(28)14-31-25(32-24)23-19-7-5-11-29-26(19)34(33-23)15-17-6-3-4-8-20(17)27/h3-12,14H,13,15,28H2,1-2H3,(H,30,31,32)
InChIKeyJXSQLDAPPLJZBW-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.29
Rot. Bonds8

About 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine

4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine (PubChem CID 66635320) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine
PubChem CID66635320
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine
SMILESCOc1ccc(CNc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2N)c(OC)c1
InChIInChI=1S/C26H24FN7O2/c1-35-18-10-9-16(22(12-18)36-2)13-30-24-21(28)14-31-25(32-24)23-19-7-5-11-29-26(19)34(33-23)15-17-6-3-4-8-20(17)27/h3-12,14H,13,15,28H2,1-2H3,(H,30,31,32)
InChIKeyJXSQLDAPPLJZBW-UHFFFAOYSA-N
XLogP4.29
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine (CID 66635320) is 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine is COc1ccc(CNc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2N)c(OC)c1.
What is the InChIKey of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine?
The InChIKey is JXSQLDAPPLJZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-35-18-10-9-16(22(12-18)36-2)13-30-24-21(28)14-31-25(32-24)23-19-7-5-11-29-26(19)34(33-23)15-17-6-3-4-8-20(17)27/h3-12,14H,13,15,28H2,1-2H3,(H,30,31,32).
What are the key properties of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine?
4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine has a molecular weight of 485.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 66635320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).