N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C19H20F2N4 — CID 59799781

IUPACN-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESFc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1F
InChIInChI=1S/C19H20F2N4/c20-17-5-3-13(8-18(17)21)11-25-7-1-2-16(12-25)23-15-4-6-19-14(9-15)10-22-24-19/h3-6,8-10,16,23H,1-2,7,11-12H2,(H,22,24)/t16-/m1/s1
InChIKeyNVDYRDZHCINQQB-MRXNPFEDSA-N
MW342.39 g/mol
LogP3.92
Rot. Bonds4

About N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 59799781) has the molecular formula C19H20F2N4 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID59799781
Molecular FormulaC19H20F2N4
Molecular Weight342.39 g/mol
Exact Mass342.17
IUPAC NameN-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESFc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1F
InChIInChI=1S/C19H20F2N4/c20-17-5-3-13(8-18(17)21)11-25-7-1-2-16(12-25)23-15-4-6-19-14(9-15)10-22-24-19/h3-6,8-10,16,23H,1-2,7,11-12H2,(H,22,24)/t16-/m1/s1
InChIKeyNVDYRDZHCINQQB-MRXNPFEDSA-N
XLogP3.92
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 59799781) is N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is Fc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1F.
What is the InChIKey of N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is NVDYRDZHCINQQB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20F2N4/c20-17-5-3-13(8-18(17)21)11-25-7-1-2-16(12-25)23-15-4-6-19-14(9-15)10-22-24-19/h3-6,8-10,16,23H,1-2,7,11-12H2,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 342.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 59799781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).