1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol

C30H34F2N8O2 — CID 178171425

IUPAC1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol
SMILESCCCN(C)Cc1ccc(Oc2ccc3c(-c4ccc(C(C)O)c(-c5cn(CC(C)(F)F)nc5C)n4)cnn3c2)nn1
InChIInChI=1S/C30H34F2N8O2/c1-6-13-38(5)15-21-7-12-28(36-35-21)42-22-8-11-27-24(14-33-40(27)16-22)26-10-9-23(20(3)41)29(34-26)25-17-39(37-19(25)2)18-30(4,31)32/h7-12,14,16-17,20,41H,6,13,15,18H2,1-5H3
InChIKeyYDDMJWREZOOQSC-UHFFFAOYSA-N
MW576.65 g/mol
LogP5.70
Rot. Bonds11

About 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol

1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol (PubChem CID 178171425) has the molecular formula C30H34F2N8O2 and a molecular weight of 576.65 g/mol. Its IUPAC name is 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol
PubChem CID178171425
Molecular FormulaC30H34F2N8O2
Molecular Weight576.65 g/mol
Exact Mass576.28
IUPAC Name1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol
SMILESCCCN(C)Cc1ccc(Oc2ccc3c(-c4ccc(C(C)O)c(-c5cn(CC(C)(F)F)nc5C)n4)cnn3c2)nn1
InChIInChI=1S/C30H34F2N8O2/c1-6-13-38(5)15-21-7-12-28(36-35-21)42-22-8-11-27-24(14-33-40(27)16-22)26-10-9-23(20(3)41)29(34-26)25-17-39(37-19(25)2)18-30(4,31)32/h7-12,14,16-17,20,41H,6,13,15,18H2,1-5H3
InChIKeyYDDMJWREZOOQSC-UHFFFAOYSA-N
XLogP5.70
TPSA106.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.65
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10034861, Example 165
CID 132273284
(NE)-N-[[6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 137633863
[5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-2-yl]methanol
CID 137659303
3-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466457
1-(7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)-2-(pyridin-4-yl)ethanol
CID 58014021
2-[4-(2-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-1,5-naphthyridin-3-yl)-1H-pyrazol-1-yl]ethanol
CID 71062719
US9725449, Example 301
CID 122694923
US10034861, Example 77
CID 132273376
US9725449, Example 345
CID 138403676
US9725449, Example 27
CID 122686352
US9725449, Example 24
CID 122686402
US9725449, Example 20
CID 122686411

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol?
The IUPAC name of 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol (CID 178171425) is 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol?
The canonical SMILES for 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol is CCCN(C)Cc1ccc(Oc2ccc3c(-c4ccc(C(C)O)c(-c5cn(CC(C)(F)F)nc5C)n4)cnn3c2)nn1.
What is the InChIKey of 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol?
The InChIKey is YDDMJWREZOOQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N8O2/c1-6-13-38(5)15-21-7-12-28(36-35-21)42-22-8-11-27-24(14-33-40(27)16-22)26-10-9-23(20(3)41)29(34-26)25-17-39(37-19(25)2)18-30(4,31)32/h7-12,14,16-17,20,41H,6,13,15,18H2,1-5H3.
What are the key properties of 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol?
1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol has a molecular weight of 576.65 g/mol, XLogP of 5.70, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,2-difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol is sourced from PubChem (CID 178171425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).