1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole

C19H21FN4O — CID 118930246

IUPAC1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CC[C@@H](F)C4)c3)c2c1
InChIInChI=1S/C19H21FN4O/c1-13(2)25-17-4-3-14-11-22-24(18(14)10-17)16-5-7-21-19(9-16)23-8-6-15(20)12-23/h3-5,7,9-11,13,15H,6,8,12H2,1-2H3/t15-/m1/s1
InChIKeyZBQQXWCUUOZZIY-OAHLLOKOSA-N
MW340.40 g/mol
LogP3.76
Rot. Bonds4

About 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole

1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole (PubChem CID 118930246) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole.

Molecular Properties

Compound Name1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole
PubChem CID118930246
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CC[C@@H](F)C4)c3)c2c1
InChIInChI=1S/C19H21FN4O/c1-13(2)25-17-4-3-14-11-22-24(18(14)10-17)16-5-7-21-19(9-16)23-8-6-15(20)12-23/h3-5,7,9-11,13,15H,6,8,12H2,1-2H3/t15-/m1/s1
InChIKeyZBQQXWCUUOZZIY-OAHLLOKOSA-N
XLogP3.76
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole?
The IUPAC name of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole (CID 118930246) is 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole.
What is the SMILES notation for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole?
The canonical SMILES for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole is CC(C)Oc1ccc2cnn(-c3ccnc(N4CC[C@@H](F)C4)c3)c2c1.
What is the InChIKey of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole?
The InChIKey is ZBQQXWCUUOZZIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13(2)25-17-4-3-14-11-22-24(18(14)10-17)16-5-7-21-19(9-16)23-8-6-15(20)12-23/h3-5,7,9-11,13,15H,6,8,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole?
1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole has a molecular weight of 340.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole is sourced from PubChem (CID 118930246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).