[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol

C25H23N5O2 — CID 59134908

IUPAC[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol
SMILESCOc1cc(-n2cccn2)ccc1-c1nn(C)c2c(C(O)c3ccccc3)cc(C)nc12
InChIInChI=1S/C25H23N5O2/c1-16-14-20(25(31)17-8-5-4-6-9-17)24-23(27-16)22(28-29(24)2)19-11-10-18(15-21(19)32-3)30-13-7-12-26-30/h4-15,25,31H,1-3H3
InChIKeyPBBULXOWNMWWDH-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.22
Rot. Bonds5

About [3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol

[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol (PubChem CID 59134908) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is [3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol
PubChem CID59134908
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol
SMILESCOc1cc(-n2cccn2)ccc1-c1nn(C)c2c(C(O)c3ccccc3)cc(C)nc12
InChIInChI=1S/C25H23N5O2/c1-16-14-20(25(31)17-8-5-4-6-9-17)24-23(27-16)22(28-29(24)2)19-11-10-18(15-21(19)32-3)30-13-7-12-26-30/h4-15,25,31H,1-3H3
InChIKeyPBBULXOWNMWWDH-UHFFFAOYSA-N
XLogP4.22
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol?
The IUPAC name of [3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol (CID 59134908) is [3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol.
What is the SMILES notation for [3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol?
The canonical SMILES for [3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol is COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(C(O)c3ccccc3)cc(C)nc12.
What is the InChIKey of [3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol?
The InChIKey is PBBULXOWNMWWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-16-14-20(25(31)17-8-5-4-6-9-17)24-23(27-16)22(28-29(24)2)19-11-10-18(15-21(19)32-3)30-13-7-12-26-30/h4-15,25,31H,1-3H3.
What are the key properties of [3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol?
[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol has a molecular weight of 425.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol is sourced from PubChem (CID 59134908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).