(1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol

C24H25N3O3 — CID 59825021

IUPAC(1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc([C@H](O)[C@@H](O)C(C)C)c3)cc12
InChIInChI=1S/C24H25N3O3/c1-14(2)22(28)23(29)16-8-6-7-15(11-16)17-12-19-21(26-27-24(19)25-13-17)18-9-4-5-10-20(18)30-3/h4-14,22-23,28-29H,1-3H3,(H,25,26,27)/t22-,23-/m0/s1
InChIKeyWPKYYJJFAZDNBB-GOTSBHOMSA-N
MW403.48 g/mol
LogP4.35
Rot. Bonds6

About (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol

(1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol (PubChem CID 59825021) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol
PubChem CID59825021
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc([C@H](O)[C@@H](O)C(C)C)c3)cc12
InChIInChI=1S/C24H25N3O3/c1-14(2)22(28)23(29)16-8-6-7-15(11-16)17-12-19-21(26-27-24(19)25-13-17)18-9-4-5-10-20(18)30-3/h4-14,22-23,28-29H,1-3H3,(H,25,26,27)/t22-,23-/m0/s1
InChIKeyWPKYYJJFAZDNBB-GOTSBHOMSA-N
XLogP4.35
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol?
The IUPAC name of (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol (CID 59825021) is (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol.
What is the SMILES notation for (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol?
The canonical SMILES for (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol is COc1ccccc1-c1[nH]nc2ncc(-c3cccc([C@H](O)[C@@H](O)C(C)C)c3)cc12.
What is the InChIKey of (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol?
The InChIKey is WPKYYJJFAZDNBB-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-14(2)22(28)23(29)16-8-6-7-15(11-16)17-12-19-21(26-27-24(19)25-13-17)18-9-4-5-10-20(18)30-3/h4-14,22-23,28-29H,1-3H3,(H,25,26,27)/t22-,23-/m0/s1.
What are the key properties of (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol?
(1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol has a molecular weight of 403.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol is sourced from PubChem (CID 59825021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).