(3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine

C18H20ClFN6 — CID 155381685

IUPAC(3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine
SMILESN[C@H]1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C[C@H]1F
InChIInChI=1S/C18H20ClFN6/c19-14-5-11-7-23-26(13-8-22-25(9-13)12-1-2-12)17(11)6-18(14)24-4-3-16(21)15(20)10-24/h5-9,12,15-16H,1-4,10,21H2/t15-,16+/m1/s1
InChIKeyLTOJDEBULVQFGS-CVEARBPZSA-N
MW374.85 g/mol
LogP3.09
Rot. Bonds3

About (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine

(3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine (PubChem CID 155381685) has the molecular formula C18H20ClFN6 and a molecular weight of 374.85 g/mol. Its IUPAC name is (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine
PubChem CID155381685
Molecular FormulaC18H20ClFN6
Molecular Weight374.85 g/mol
Exact Mass374.14
IUPAC Name(3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine
SMILESN[C@H]1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C[C@H]1F
InChIInChI=1S/C18H20ClFN6/c19-14-5-11-7-23-26(13-8-22-25(9-13)12-1-2-12)17(11)6-18(14)24-4-3-16(21)15(20)10-24/h5-9,12,15-16H,1-4,10,21H2/t15-,16+/m1/s1
InChIKeyLTOJDEBULVQFGS-CVEARBPZSA-N
XLogP3.09
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine 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

(3R,4R)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine
CID 155381644
5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-(4-pyrazin-2-ylpiperidin-1-yl)indazole
CID 155381288
8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane
CID 155381686
5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(2,2,4,4-tetradeuterio-3-methyloxetan-3-yl)piperazin-1-yl]indazole
CID 164848101
7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane
CID 155381725
(1S,5S,8S)-3-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-8-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-ol
CID 164848050
(1S,5R)-3-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-8-pyridin-3-yl-3-azabicyclo[3.2.1]octan-8-ol
CID 164848102
3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
CID 155381655
3-[4-[5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazol-1-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid
CID 155368983
3-[1-(1-cyclopropylpyrazol-4-yl)-5-isocyanoindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
CID 164848122
1-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]-4-(oxolan-3-yl)piperidin-4-ol
CID 155381688
2-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-2,7-diazaspiro[4.4]nonan-8-one;2-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-2,7-diazaspiro[3.4]octan-6-one;8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one;5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]indazole;5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-(4-pyrazol-1-ylpiperidin-1-yl)indazole
CID 167707325

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine?
The IUPAC name of (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine (CID 155381685) is (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine.
What is the SMILES notation for (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine?
The canonical SMILES for (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine is N[C@H]1CCN(c2cc3c(cnn3-c3cnn(C4CC4)c3)cc2Cl)C[C@H]1F.
What is the InChIKey of (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine?
The InChIKey is LTOJDEBULVQFGS-CVEARBPZSA-N. The full InChI is InChI=1S/C18H20ClFN6/c19-14-5-11-7-23-26(13-8-22-25(9-13)12-1-2-12)17(11)6-18(14)24-4-3-16(21)15(20)10-24/h5-9,12,15-16H,1-4,10,21H2/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine?
(3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine has a molecular weight of 374.85 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3-fluoropiperidin-4-amine is sourced from PubChem (CID 155381685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).