3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline

C23H19N9 — CID 145038575

IUPAC3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline
SMILESCc1cn(-c2ccnc3nc(C4=NNCc5ncc(-c6cccc(N)c6)cc54)[nH]c23)cn1
InChIInChI=1S/C23H19N9/c1-13-11-32(12-27-13)19-5-6-25-22-21(19)29-23(30-22)20-17-8-15(9-26-18(17)10-28-31-20)14-3-2-4-16(24)7-14/h2-9,11-12,28H,10,24H2,1H3,(H,25,29,30)
InChIKeyHYYHWIPVCFTZFY-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.95
Rot. Bonds3

About 3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline

3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline (PubChem CID 145038575) has the molecular formula C23H19N9 and a molecular weight of 421.47 g/mol. Its IUPAC name is 3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline.

Molecular Properties

Compound Name3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline
PubChem CID145038575
Molecular FormulaC23H19N9
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline
SMILESCc1cn(-c2ccnc3nc(C4=NNCc5ncc(-c6cccc(N)c6)cc54)[nH]c23)cn1
InChIInChI=1S/C23H19N9/c1-13-11-32(12-27-13)19-5-6-25-22-21(19)29-23(30-22)20-17-8-15(9-26-18(17)10-28-31-20)14-3-2-4-16(24)7-14/h2-9,11-12,28H,10,24H2,1H3,(H,25,29,30)
InChIKeyHYYHWIPVCFTZFY-UHFFFAOYSA-N
XLogP2.95
TPSA122.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline?
The IUPAC name of 3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline (CID 145038575) is 3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline.
What is the SMILES notation for 3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline?
The canonical SMILES for 3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline is Cc1cn(-c2ccnc3nc(C4=NNCc5ncc(-c6cccc(N)c6)cc54)[nH]c23)cn1.
What is the InChIKey of 3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline?
The InChIKey is HYYHWIPVCFTZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N9/c1-13-11-32(12-27-13)19-5-6-25-22-21(19)29-23(30-22)20-17-8-15(9-26-18(17)10-28-31-20)14-3-2-4-16(24)7-14/h2-9,11-12,28H,10,24H2,1H3,(H,25,29,30).
What are the key properties of 3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline?
3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline has a molecular weight of 421.47 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-7,8-dihydropyrido[2,3-d]pyridazin-3-yl]aniline is sourced from PubChem (CID 145038575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).