4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C18H20ClN3O3 — CID 141489549

IUPAC4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2cc(Cl)cc3c2cnn3C2CCCCO2)CC1
InChIInChI=1S/C18H20ClN3O3/c19-13-9-14(12-4-6-21(7-5-12)18(23)24)15-11-20-22(16(15)10-13)17-3-1-2-8-25-17/h4,9-11,17H,1-3,5-8H2,(H,23,24)
InChIKeyXEPOGAFAMIXJSN-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.16
Rot. Bonds2

About 4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 141489549) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID141489549
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2cc(Cl)cc3c2cnn3C2CCCCO2)CC1
InChIInChI=1S/C18H20ClN3O3/c19-13-9-14(12-4-6-21(7-5-12)18(23)24)15-11-20-22(16(15)10-13)17-3-1-2-8-25-17/h4,9-11,17H,1-3,5-8H2,(H,23,24)
InChIKeyXEPOGAFAMIXJSN-UHFFFAOYSA-N
XLogP4.16
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-6-chloro-5-(cyclobuten-1-yl)-1-(oxan-2-yl)indazole
CID 171567846
6-chloro-4-ethynyl-1-(oxan-2-yl)indazole
CID 134298715
4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 156501605
4-chloro-5-(cyclobuten-1-yl)-1-(oxan-2-yl)-6-(trifluoromethyl)indazole
CID 171567948
6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 121228968
6-chloro-1-(oxan-2-yl)-4-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]indazole
CID 154696809
tert-butyl 6-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-6-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 154696835
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propanoic acid
CID 171613449
1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
CID 155167536
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175122167

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 141489549) is 4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=C(c2cc(Cl)cc3c2cnn3C2CCCCO2)CC1.
What is the InChIKey of 4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is XEPOGAFAMIXJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-13-9-14(12-4-6-21(7-5-12)18(23)24)15-11-20-22(16(15)10-13)17-3-1-2-8-25-17/h4,9-11,17H,1-3,5-8H2,(H,23,24).
What are the key properties of 4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 361.83 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 141489549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).