1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole

C20H19FN6 — CID 118930255

IUPAC1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CC[C@H](F)C5)c4)c3c2)cn1
InChIInChI=1S/C20H19FN6/c1-25-12-16(11-23-25)14-2-3-15-10-24-27(19(15)8-14)18-4-6-22-20(9-18)26-7-5-17(21)13-26/h2-4,6,8-12,17H,5,7,13H2,1H3/t17-/m0/s1
InChIKeyPZDLPPLYZXCTQL-KRWDZBQOSA-N
MW362.41 g/mol
LogP3.37
Rot. Bonds3

About 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole

1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole (PubChem CID 118930255) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole.

Molecular Properties

Compound Name1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
PubChem CID118930255
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CC[C@H](F)C5)c4)c3c2)cn1
InChIInChI=1S/C20H19FN6/c1-25-12-16(11-23-25)14-2-3-15-10-24-27(19(15)8-14)18-4-6-22-20(9-18)26-7-5-17(21)13-26/h2-4,6,8-12,17H,5,7,13H2,1H3/t17-/m0/s1
InChIKeyPZDLPPLYZXCTQL-KRWDZBQOSA-N
XLogP3.37
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The IUPAC name of 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole (CID 118930255) is 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole.
What is the SMILES notation for 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The canonical SMILES for 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole is Cn1cc(-c2ccc3cnn(-c4ccnc(N5CC[C@H](F)C5)c4)c3c2)cn1.
What is the InChIKey of 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The InChIKey is PZDLPPLYZXCTQL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19FN6/c1-25-12-16(11-23-25)14-2-3-15-10-24-27(19(15)8-14)18-4-6-22-20(9-18)26-7-5-17(21)13-26/h2-4,6,8-12,17H,5,7,13H2,1H3/t17-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole has a molecular weight of 362.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole is sourced from PubChem (CID 118930255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).