[4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol

C22H18N8O2 — CID 145244815

IUPAC[4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2ccc3c(n2)C(c2nc4c(-c5ccoc5)nccc4[nH]2)=NNC3)c(CO)n1
InChIInChI=1S/C22H18N8O2/c1-30-9-14(17(10-31)29-30)15-3-2-12-8-24-28-21(19(12)25-15)22-26-16-4-6-23-18(20(16)27-22)13-5-7-32-11-13/h2-7,9,11,24,31H,8,10H2,1H3,(H,26,27)
InChIKeyZKLWZYZYQVAEJD-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.36
Rot. Bonds4

About [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol

[4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol (PubChem CID 145244815) has the molecular formula C22H18N8O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol
PubChem CID145244815
Molecular FormulaC22H18N8O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name[4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2ccc3c(n2)C(c2nc4c(-c5ccoc5)nccc4[nH]2)=NNC3)c(CO)n1
InChIInChI=1S/C22H18N8O2/c1-30-9-14(17(10-31)29-30)15-3-2-12-8-24-28-21(19(12)25-15)22-26-16-4-6-23-18(20(16)27-22)13-5-7-32-11-13/h2-7,9,11,24,31H,8,10H2,1H3,(H,26,27)
InChIKeyZKLWZYZYQVAEJD-UHFFFAOYSA-N
XLogP2.36
TPSA130.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol with MolForge

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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[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225572
N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
(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
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225589
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226080
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
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504

Frequently Asked Questions

What is the IUPAC name of [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol?
The IUPAC name of [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol (CID 145244815) is [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol is Cn1cc(-c2ccc3c(n2)C(c2nc4c(-c5ccoc5)nccc4[nH]2)=NNC3)c(CO)n1.
What is the InChIKey of [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol?
The InChIKey is ZKLWZYZYQVAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O2/c1-30-9-14(17(10-31)29-30)15-3-2-12-8-24-28-21(19(12)25-15)22-26-16-4-6-23-18(20(16)27-22)13-5-7-32-11-13/h2-7,9,11,24,31H,8,10H2,1H3,(H,26,27).
What are the key properties of [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol?
[4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol has a molecular weight of 426.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydropyrido[2,3-d]pyridazin-2-yl]-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 145244815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).