8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H20ClFN6 — CID 142607820

IUPAC8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1ncc2c1CC[C@H](Nc1nc3c(-c4ccc(F)c(Cl)c4)cccn3n1)C2
InChIInChI=1S/C21H20ClFN6/c1-2-28-19-8-6-15(10-14(19)12-24-28)25-21-26-20-16(4-3-9-29(20)27-21)13-5-7-18(23)17(22)11-13/h3-5,7,9,11-12,15H,2,6,8,10H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyGGTOKLPPMHMCOK-HNNXBMFYSA-N
MW410.88 g/mol
LogP4.37
Rot. Bonds4

About 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 142607820) has the molecular formula C21H20ClFN6 and a molecular weight of 410.88 g/mol. Its IUPAC name is 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID142607820
Molecular FormulaC21H20ClFN6
Molecular Weight410.88 g/mol
Exact Mass410.14
IUPAC Name8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1ncc2c1CC[C@H](Nc1nc3c(-c4ccc(F)c(Cl)c4)cccn3n1)C2
InChIInChI=1S/C21H20ClFN6/c1-2-28-19-8-6-15(10-14(19)12-24-28)25-21-26-20-16(4-3-9-29(20)27-21)13-5-7-18(23)17(22)11-13/h3-5,7,9,11-12,15H,2,6,8,10H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyGGTOKLPPMHMCOK-HNNXBMFYSA-N
XLogP4.37
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

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4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
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3-(1-(2,6-dichloro-3-fluorophenyl)cyclopropyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine (10)
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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 142607820) is 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCn1ncc2c1CC[C@H](Nc1nc3c(-c4ccc(F)c(Cl)c4)cccn3n1)C2.
What is the InChIKey of 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GGTOKLPPMHMCOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20ClFN6/c1-2-28-19-8-6-15(10-14(19)12-24-28)25-21-26-20-16(4-3-9-29(20)27-21)13-5-7-18(23)17(22)11-13/h3-5,7,9,11-12,15H,2,6,8,10H2,1H3,(H,25,27)/t15-/m0/s1.
What are the key properties of 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 410.88 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-fluorophenyl)-N-[(5S)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 142607820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).