6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile

C17H11FN6O2 — CID 170014233

IUPAC6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile
SMILESN#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1c1ccncc1F
InChIInChI=1S/C17H11FN6O2/c18-13-7-20-2-1-8(13)9-3-10(9)11-4-14(23-24-15(11)5-19)12-6-21-17(26)22-16(12)25/h1-2,4,6-7,9-10H,3H2,(H2,21,22,25,26)/t9-,10+/m1/s1
InChIKeyVJALQUCHGJUYLM-ZJUUUORDSA-N
MW350.31 g/mol
LogP1.20
Rot. Bonds3

About 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile

6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile (PubChem CID 170014233) has the molecular formula C17H11FN6O2 and a molecular weight of 350.31 g/mol. Its IUPAC name is 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile
PubChem CID170014233
Molecular FormulaC17H11FN6O2
Molecular Weight350.31 g/mol
Exact Mass350.09
IUPAC Name6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile
SMILESN#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1c1ccncc1F
InChIInChI=1S/C17H11FN6O2/c18-13-7-20-2-1-8(13)9-3-10(9)11-4-14(23-24-15(11)5-19)12-6-21-17(26)22-16(12)25/h1-2,4,6-7,9-10H,3H2,(H2,21,22,25,26)/t9-,10+/m1/s1
InChIKeyVJALQUCHGJUYLM-ZJUUUORDSA-N
XLogP1.20
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile?
The IUPAC name of 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile (CID 170014233) is 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile is N#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1c1ccncc1F.
What is the InChIKey of 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile?
The InChIKey is VJALQUCHGJUYLM-ZJUUUORDSA-N. The full InChI is InChI=1S/C17H11FN6O2/c18-13-7-20-2-1-8(13)9-3-10(9)11-4-14(23-24-15(11)5-19)12-6-21-17(26)22-16(12)25/h1-2,4,6-7,9-10H,3H2,(H2,21,22,25,26)/t9-,10+/m1/s1.
What are the key properties of 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile?
6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile has a molecular weight of 350.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazine-3-carbonitrile is sourced from PubChem (CID 170014233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).