5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C16H11ClFN5O2 — CID 169288698

IUPAC5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ncccc3F)c(Cl)nn2)c(=O)[nH]1
InChIInChI=1S/C16H11ClFN5O2/c17-14-9(7-4-8(7)13-11(18)2-1-3-19-13)5-12(22-23-14)10-6-20-16(25)21-15(10)24/h1-3,5-8H,4H2,(H2,20,21,24,25)/t7-,8-/m0/s1
InChIKeyYODFUCJHFVWSSG-YUMQZZPRSA-N
MW359.75 g/mol
LogP1.98
Rot. Bonds3

About 5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 169288698) has the molecular formula C16H11ClFN5O2 and a molecular weight of 359.75 g/mol. Its IUPAC name is 5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID169288698
Molecular FormulaC16H11ClFN5O2
Molecular Weight359.75 g/mol
Exact Mass359.06
IUPAC Name5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ncccc3F)c(Cl)nn2)c(=O)[nH]1
InChIInChI=1S/C16H11ClFN5O2/c17-14-9(7-4-8(7)13-11(18)2-1-3-19-13)5-12(22-23-14)10-6-20-16(25)21-15(10)24/h1-3,5-8H,4H2,(H2,20,21,24,25)/t7-,8-/m0/s1
InChIKeyYODFUCJHFVWSSG-YUMQZZPRSA-N
XLogP1.98
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 169288698) is 5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ncccc3F)c(Cl)nn2)c(=O)[nH]1.
What is the InChIKey of 5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is YODFUCJHFVWSSG-YUMQZZPRSA-N. The full InChI is InChI=1S/C16H11ClFN5O2/c17-14-9(7-4-8(7)13-11(18)2-1-3-19-13)5-12(22-23-14)10-6-20-16(25)21-15(10)24/h1-3,5-8H,4H2,(H2,20,21,24,25)/t7-,8-/m0/s1.
What are the key properties of 5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 359.75 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[(1S,2S)-2-(3-fluoro-2-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 169288698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).