2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine

C16H16F2N4O — CID 11197934

IUPAC2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine
SMILESCC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2OC(F)F)nc1
InChIInChI=1S/C16H16F2N4O/c1-16(2,19)9-3-5-12(20-7-9)10-4-6-13-11(8-21-22-13)14(10)23-15(17)18/h3-8,15H,19H2,1-2H3,(H,21,22)
InChIKeyLIVCETHQIMQPJP-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.42
Rot. Bonds4

About 2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine

2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine (PubChem CID 11197934) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine
PubChem CID11197934
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine
SMILESCC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2OC(F)F)nc1
InChIInChI=1S/C16H16F2N4O/c1-16(2,19)9-3-5-12(20-7-9)10-4-6-13-11(8-21-22-13)14(10)23-15(17)18/h3-8,15H,19H2,1-2H3,(H,21,22)
InChIKeyLIVCETHQIMQPJP-UHFFFAOYSA-N
XLogP3.42
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine?
The IUPAC name of 2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine (CID 11197934) is 2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine?
The canonical SMILES for 2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine is CC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2OC(F)F)nc1.
What is the InChIKey of 2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine?
The InChIKey is LIVCETHQIMQPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-16(2,19)9-3-5-12(20-7-9)10-4-6-13-11(8-21-22-13)14(10)23-15(17)18/h3-8,15H,19H2,1-2H3,(H,21,22).
What are the key properties of 2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine?
2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine has a molecular weight of 318.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 11197934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).