(2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol

C20H21ClFN3O — CID 134202326

IUPAC(2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol
SMILESCc1ccc2c3c(nn2c1)CCC(C)(NC(O)c1ccc(F)cc1Cl)C3
InChIInChI=1S/C20H21ClFN3O/c1-12-3-6-18-15-10-20(2,8-7-17(15)24-25(18)11-12)23-19(26)14-5-4-13(22)9-16(14)21/h3-6,9,11,19,23,26H,7-8,10H2,1-2H3
InChIKeyGZSFTZLCUDWQNM-UHFFFAOYSA-N
MW373.86 g/mol
LogP3.96
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol

(2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol (PubChem CID 134202326) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol
PubChem CID134202326
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name(2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol
SMILESCc1ccc2c3c(nn2c1)CCC(C)(NC(O)c1ccc(F)cc1Cl)C3
InChIInChI=1S/C20H21ClFN3O/c1-12-3-6-18-15-10-20(2,8-7-17(15)24-25(18)11-12)23-19(26)14-5-4-13(22)9-16(14)21/h3-6,9,11,19,23,26H,7-8,10H2,1-2H3
InChIKeyGZSFTZLCUDWQNM-UHFFFAOYSA-N
XLogP3.96
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol?
The IUPAC name of (2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol (CID 134202326) is (2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol is Cc1ccc2c3c(nn2c1)CCC(C)(NC(O)c1ccc(F)cc1Cl)C3.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol?
The InChIKey is GZSFTZLCUDWQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O/c1-12-3-6-18-15-10-20(2,8-7-17(15)24-25(18)11-12)23-19(26)14-5-4-13(22)9-16(14)21/h3-6,9,11,19,23,26H,7-8,10H2,1-2H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol?
(2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol has a molecular weight of 373.86 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)amino]methanol is sourced from PubChem (CID 134202326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).