[6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol

C19H19N7O — CID 70970532

IUPAC[6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCN1CC(c2ccc3ncc(Cc4ccc5ncc(CO)n5c4)n3n2)C=N1
InChIInChI=1S/C19H19N7O/c1-24-11-14(7-22-24)17-3-5-19-21-8-15(26(19)23-17)6-13-2-4-18-20-9-16(12-27)25(18)10-13/h2-5,7-10,14,27H,6,11-12H2,1H3
InChIKeyNJGJQIMIXDATAD-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.47
Rot. Bonds4

About [6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol

[6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 70970532) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is [6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID70970532
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name[6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCN1CC(c2ccc3ncc(Cc4ccc5ncc(CO)n5c4)n3n2)C=N1
InChIInChI=1S/C19H19N7O/c1-24-11-14(7-22-24)17-3-5-19-21-8-15(26(19)23-17)6-13-2-4-18-20-9-16(12-27)25(18)10-13/h2-5,7-10,14,27H,6,11-12H2,1H3
InChIKeyNJGJQIMIXDATAD-UHFFFAOYSA-N
XLogP1.47
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol (CID 70970532) is [6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol is CN1CC(c2ccc3ncc(Cc4ccc5ncc(CO)n5c4)n3n2)C=N1.
What is the InChIKey of [6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is NJGJQIMIXDATAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-24-11-14(7-22-24)17-3-5-19-21-8-15(26(19)23-17)6-13-2-4-18-20-9-16(12-27)25(18)10-13/h2-5,7-10,14,27H,6,11-12H2,1H3.
What are the key properties of [6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol?
[6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 361.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 70970532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).