[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone

C18H19FN6O — CID 59684384

IUPAC[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone
SMILESCn1cc(-c2cc(C(=O)N3CCC[C@H]3CF)nn2-c2cccnc2)cn1
InChIInChI=1S/C18H19FN6O/c1-23-12-13(10-21-23)17-8-16(18(26)24-7-3-5-14(24)9-19)22-25(17)15-4-2-6-20-11-15/h2,4,6,8,10-12,14H,3,5,7,9H2,1H3/t14-/m0/s1
InChIKeyXKGMKCNVKVVCJS-AWEZNQCLSA-N
MW354.39 g/mol
LogP2.24
Rot. Bonds4

About [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone

[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone (PubChem CID 59684384) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone
PubChem CID59684384
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone
SMILESCn1cc(-c2cc(C(=O)N3CCC[C@H]3CF)nn2-c2cccnc2)cn1
InChIInChI=1S/C18H19FN6O/c1-23-12-13(10-21-23)17-8-16(18(26)24-7-3-5-14(24)9-19)22-25(17)15-4-2-6-20-11-15/h2,4,6,8,10-12,14H,3,5,7,9H2,1H3/t14-/m0/s1
InChIKeyXKGMKCNVKVVCJS-AWEZNQCLSA-N
XLogP2.24
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389484
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389725
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700543
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428
US10022354, Example 71
CID 121279677
US10022354, Example 45
CID 121279684
US10022354, Example 48
CID 121279687

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone?
The IUPAC name of [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone (CID 59684384) is [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone?
The canonical SMILES for [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone is Cn1cc(-c2cc(C(=O)N3CCC[C@H]3CF)nn2-c2cccnc2)cn1.
What is the InChIKey of [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone?
The InChIKey is XKGMKCNVKVVCJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-23-12-13(10-21-23)17-8-16(18(26)24-7-3-5-14(24)9-19)22-25(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 [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone?
[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone has a molecular weight of 354.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpyrazol-3-yl]methanone is sourced from PubChem (CID 59684384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).