N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide

C22H17N5O2S — CID 72700243

IUPACN-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1nn(-c2cccc(Sc3cccnc3)c2)c2ncccc2c1=O
InChIInChI=1S/C22H17N5O2S/c28-20-18-7-3-11-24-21(18)27(26-19(20)22(29)25-14-8-9-14)15-4-1-5-16(12-15)30-17-6-2-10-23-13-17/h1-7,10-14H,8-9H2,(H,25,29)
InChIKeyIKWGXQRFGZQMPS-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.22
Rot. Bonds5

About N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide

N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide (PubChem CID 72700243) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide
PubChem CID72700243
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC NameN-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1nn(-c2cccc(Sc3cccnc3)c2)c2ncccc2c1=O
InChIInChI=1S/C22H17N5O2S/c28-20-18-7-3-11-24-21(18)27(26-19(20)22(29)25-14-8-9-14)15-4-1-5-16(12-15)30-17-6-2-10-23-13-17/h1-7,10-14H,8-9H2,(H,25,29)
InChIKeyIKWGXQRFGZQMPS-UHFFFAOYSA-N
XLogP3.22
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide (CID 72700243) is N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide is O=C(NC1CC1)c1nn(-c2cccc(Sc3cccnc3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide?
The InChIKey is IKWGXQRFGZQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c28-20-18-7-3-11-24-21(18)27(26-19(20)22(29)25-14-8-9-14)15-4-1-5-16(12-15)30-17-6-2-10-23-13-17/h1-7,10-14H,8-9H2,(H,25,29).
What are the key properties of N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide?
N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 72700243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).