(1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide

C25H20N6O2 — CID 20788996

IUPAC(1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C25H20N6O2/c32-21-12-14-4-1-2-7-18(14)22(21)25(33)28-17-6-3-5-15(10-17)23-19-11-16(24-26-13-27-31-24)8-9-20(19)29-30-23/h1-11,13,21-22,32H,12H2,(H,28,33)(H,29,30)(H,26,27,31)/t21-,22+/m0/s1
InChIKeyZRFLDJVDRVIAHP-FCHUYYIVSA-N
MW436.48 g/mol
LogP3.65
Rot. Bonds4

About (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide

(1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 20788996) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID20788996
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name(1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C25H20N6O2/c32-21-12-14-4-1-2-7-18(14)22(21)25(33)28-17-6-3-5-15(10-17)23-19-11-16(24-26-13-27-31-24)8-9-20(19)29-30-23/h1-11,13,21-22,32H,12H2,(H,28,33)(H,29,30)(H,26,27,31)/t21-,22+/m0/s1
InChIKeyZRFLDJVDRVIAHP-FCHUYYIVSA-N
XLogP3.65
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 142662883
1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
CID 11187101
2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 22479879
4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
CID 22479828
N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 20789123
3-(3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 21092512
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 11408133
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 11279829
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 75497957
3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 11451717
3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479813

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 20788996) is (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide is O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is ZRFLDJVDRVIAHP-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H20N6O2/c32-21-12-14-4-1-2-7-18(14)22(21)25(33)28-17-6-3-5-15(10-17)23-19-11-16(24-26-13-27-31-24)8-9-20(19)29-30-23/h1-11,13,21-22,32H,12H2,(H,28,33)(H,29,30)(H,26,27,31)/t21-,22+/m0/s1.
What are the key properties of (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide?
(1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 20788996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).