[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol

C30H23F2N5O2 — CID 134424854

IUPAC[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol
SMILESCc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(O)c2cc3c(-c4ccccn4)cccc3[nH]2)c1N
InChIInChI=1S/C30H23F2N5O2/c1-17-14-18(39-27-10-5-7-22(31)28(27)32)11-12-26(17)37-30(33)21(16-35-37)29(38)25-15-20-19(6-4-9-24(20)36-25)23-8-2-3-13-34-23/h2-16,29,36,38H,33H2,1H3
InChIKeyRSUDDAXWGMOSRU-UHFFFAOYSA-N
MW523.54 g/mol
LogP6.46
Rot. Bonds6

About [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol

[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol (PubChem CID 134424854) has the molecular formula C30H23F2N5O2 and a molecular weight of 523.54 g/mol. Its IUPAC name is [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol
PubChem CID134424854
Molecular FormulaC30H23F2N5O2
Molecular Weight523.54 g/mol
Exact Mass523.18
IUPAC Name[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol
SMILESCc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(O)c2cc3c(-c4ccccn4)cccc3[nH]2)c1N
InChIInChI=1S/C30H23F2N5O2/c1-17-14-18(39-27-10-5-7-22(31)28(27)32)11-12-26(17)37-30(33)21(16-35-37)29(38)25-15-20-19(6-4-9-24(20)36-25)23-8-2-3-13-34-23/h2-16,29,36,38H,33H2,1H3
InChIKeyRSUDDAXWGMOSRU-UHFFFAOYSA-N
XLogP6.46
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.54
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol 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 [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol?
The IUPAC name of [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol (CID 134424854) is [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol.
What is the SMILES notation for [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol?
The canonical SMILES for [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol is Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(O)c2cc3c(-c4ccccn4)cccc3[nH]2)c1N.
What is the InChIKey of [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol?
The InChIKey is RSUDDAXWGMOSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N5O2/c1-17-14-18(39-27-10-5-7-22(31)28(27)32)11-12-26(17)37-30(33)21(16-35-37)29(38)25-15-20-19(6-4-9-24(20)36-25)23-8-2-3-13-34-23/h2-16,29,36,38H,33H2,1H3.
What are the key properties of [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol?
[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol has a molecular weight of 523.54 g/mol, XLogP of 6.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-pyridin-2-yl-1H-indol-2-yl)methanol is sourced from PubChem (CID 134424854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).