N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C19H20ClFN4 — CID 10155350

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESFc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(Cl)c1
InChIInChI=1S/C19H20ClFN4/c20-18-9-15(21)4-3-13(18)11-25-7-1-2-17(12-25)23-16-5-6-19-14(8-16)10-22-24-19/h3-6,8-10,17,23H,1-2,7,11-12H2,(H,22,24)
InChIKeyVQTBYZZESOCQQH-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.43
Rot. Bonds4

About N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 10155350) has the molecular formula C19H20ClFN4 and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID10155350
Molecular FormulaC19H20ClFN4
Molecular Weight358.85 g/mol
Exact Mass358.14
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESFc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(Cl)c1
InChIInChI=1S/C19H20ClFN4/c20-18-9-15(21)4-3-13(18)11-25-7-1-2-17(12-25)23-16-5-6-19-14(8-16)10-22-24-19/h3-6,8-10,17,23H,1-2,7,11-12H2,(H,22,24)
InChIKeyVQTBYZZESOCQQH-UHFFFAOYSA-N
XLogP4.43
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 10155350) is N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(Cl)c1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is VQTBYZZESOCQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4/c20-18-9-15(21)4-3-13(18)11-25-7-1-2-17(12-25)23-16-5-6-19-14(8-16)10-22-24-19/h3-6,8-10,17,23H,1-2,7,11-12H2,(H,22,24).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 358.85 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 10155350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).