2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine

C18H19FN6 — CID 71205992

IUPAC2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine
SMILESCc1cnc(-c2cc(N3CCC[C@H]3CF)nn2-c2cccnc2)cn1
InChIInChI=1S/C18H19FN6/c1-13-10-22-16(12-21-13)17-8-18(24-7-3-5-14(24)9-19)23-25(17)15-4-2-6-20-11-15/h2,4,6,8,10-12,14H,3,5,7,9H2,1H3/t14-/m0/s1
InChIKeyMGEVUNHOARMHDC-AWEZNQCLSA-N
MW338.39 g/mol
LogP2.97
Rot. Bonds4

About 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine

2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine (PubChem CID 71205992) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine
PubChem CID71205992
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine
SMILESCc1cnc(-c2cc(N3CCC[C@H]3CF)nn2-c2cccnc2)cn1
InChIInChI=1S/C18H19FN6/c1-13-10-22-16(12-21-13)17-8-18(24-7-3-5-14(24)9-19)23-25(17)15-4-2-6-20-11-15/h2,4,6,8,10-12,14H,3,5,7,9H2,1H3/t14-/m0/s1
InChIKeyMGEVUNHOARMHDC-AWEZNQCLSA-N
XLogP2.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine?
The IUPAC name of 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine (CID 71205992) is 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine.
What is the SMILES notation for 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine?
The canonical SMILES for 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine is Cc1cnc(-c2cc(N3CCC[C@H]3CF)nn2-c2cccnc2)cn1.
What is the InChIKey of 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine?
The InChIKey is MGEVUNHOARMHDC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN6/c1-13-10-22-16(12-21-13)17-8-18(24-7-3-5-14(24)9-19)23-25(17)15-4-2-6-20-11-15/h2,4,6,8,10-12,14H,3,5,7,9H2,1H3/t14-/m0/s1.
What are the key properties of 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine?
2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine has a molecular weight of 338.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine is sourced from PubChem (CID 71205992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).