6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C19H25N5O2 — CID 124514191

IUPAC6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC[C@H](C)n1ncc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1C1CC1
InChIInChI=1S/C19H25N5O2/c1-4-12(2)24-18(13-5-6-13)15(10-20-24)19(26)23-8-7-16-14(11-23)9-17(25)22(3)21-16/h9-10,12-13H,4-8,11H2,1-3H3/t12-/m0/s1
InChIKeyMXXUWBKCSBZAJP-LBPRGKRZSA-N
MW355.44 g/mol
LogP2.02
Rot. Bonds4

About 6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 124514191) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID124514191
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC[C@H](C)n1ncc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1C1CC1
InChIInChI=1S/C19H25N5O2/c1-4-12(2)24-18(13-5-6-13)15(10-20-24)19(26)23-8-7-16-14(11-23)9-17(25)22(3)21-16/h9-10,12-13H,4-8,11H2,1-3H3/t12-/m0/s1
InChIKeyMXXUWBKCSBZAJP-LBPRGKRZSA-N
XLogP2.02
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 124514191) is 6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is CC[C@H](C)n1ncc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1C1CC1.
What is the InChIKey of 6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is MXXUWBKCSBZAJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-12(2)24-18(13-5-6-13)15(10-20-24)19(26)23-8-7-16-14(11-23)9-17(25)22(3)21-16/h9-10,12-13H,4-8,11H2,1-3H3/t12-/m0/s1.
What are the key properties of 6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 355.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 124514191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).