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

C20H19FN6 — CID 118930217

IUPAC1-[2-[(3R)-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-/m1/s1
InChIKeyPZDLPPLYZXCTQL-QGZVFWFLSA-N
MW362.41 g/mol
LogP3.37
Rot. Bonds3

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

1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole (PubChem CID 118930217) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole.

Molecular Properties

Compound Name1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
PubChem CID118930217
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name1-[2-[(3R)-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-/m1/s1
InChIKeyPZDLPPLYZXCTQL-QGZVFWFLSA-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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Related Compounds

Vebreltinib
CID 72202701
PF-04981517
CID 71315139
(3r)-1-{3-[5-(4-Ethylphenyl)-1-Methyl-1h-Pyrazol-4-Yl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Yl}-N,N-Dimethylpyrrolidin-3-Amine
CID 90654177
1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)pyrrolidin-3-amine
CID 71253906
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 156138327
3-methyl-1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093245
1-(3-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093251
1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093257
3-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
CID 138454306
Imidazo triazine derivative 1
CID 68182028

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The IUPAC name of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole (CID 118930217) is 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole.
What is the SMILES notation for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The canonical SMILES for 1-[2-[(3R)-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-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The InChIKey is PZDLPPLYZXCTQL-QGZVFWFLSA-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-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
1-[2-[(3R)-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-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole is sourced from PubChem (CID 118930217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).