3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine

C29H22N14O — CID 141037634

IUPAC3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine
SMILESc1ccc(C2=C(c3ncn[nH]3)N(c3ccn[nH]3)N(c3ncc[nH]3)C(c3ncccn3)(c3ccco3)C2c2cnccn2)nc1
InChIInChI=1S/C29H22N14O/c1-2-8-31-19(5-1)23-24(20-17-30-12-13-32-20)29(21-6-3-16-44-21,27-33-9-4-10-34-27)43(28-35-14-15-36-28)42(22-7-11-38-40-22)25(23)26-37-18-39-41-26/h1-18,24H,(H,35,36)(H,38,40)(H,37,39,41)
InChIKeyIFXMTPHZCXTGKN-UHFFFAOYSA-N
MW582.59 g/mol
LogP3.36
Rot. Bonds7

About 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine

3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine (PubChem CID 141037634) has the molecular formula C29H22N14O and a molecular weight of 582.59 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine
PubChem CID141037634
Molecular FormulaC29H22N14O
Molecular Weight582.59 g/mol
Exact Mass582.21
IUPAC Name3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine
SMILESc1ccc(C2=C(c3ncn[nH]3)N(c3ccn[nH]3)N(c3ncc[nH]3)C(c3ncccn3)(c3ccco3)C2c2cnccn2)nc1
InChIInChI=1S/C29H22N14O/c1-2-8-31-19(5-1)23-24(20-17-30-12-13-32-20)29(21-6-3-16-44-21,27-33-9-4-10-34-27)43(28-35-14-15-36-28)42(22-7-11-38-40-22)25(23)26-37-18-39-41-26/h1-18,24H,(H,35,36)(H,38,40)(H,37,39,41)
InChIKeyIFXMTPHZCXTGKN-UHFFFAOYSA-N
XLogP3.36
TPSA183.00 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.59
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine with MolForge

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Launch Full Analysis

Related Compounds

3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25222706
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225574
3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226136
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carbonitrile
CID 46226137
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
CID 46226156
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 11952670
6-(furan-3-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224367
3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25221040
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136944955

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine?
The IUPAC name of 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine (CID 141037634) is 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine.
What is the SMILES notation for 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine?
The canonical SMILES for 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine is c1ccc(C2=C(c3ncn[nH]3)N(c3ccn[nH]3)N(c3ncc[nH]3)C(c3ncccn3)(c3ccco3)C2c2cnccn2)nc1.
What is the InChIKey of 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine?
The InChIKey is IFXMTPHZCXTGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N14O/c1-2-8-31-19(5-1)23-24(20-17-30-12-13-32-20)29(21-6-3-16-44-21,27-33-9-4-10-34-27)43(28-35-14-15-36-28)42(22-7-11-38-40-22)25(23)26-37-18-39-41-26/h1-18,24H,(H,35,36)(H,38,40)(H,37,39,41).
What are the key properties of 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine?
3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine has a molecular weight of 582.59 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-1,2,4-triazol-5-yl)-4H-pyridazine is sourced from PubChem (CID 141037634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).