N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide

C20H21N7O2 — CID 158646360

IUPACN-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OC(C)C)nn23)c1
InChIInChI=1S/C20H21N7O2/c1-12(2)29-20-16(15-9-24-26(4)11-15)6-18-23-10-17(27(18)25-20)13-5-14(8-22-7-13)19(28)21-3/h5-12H,1-4H3,(H,21,28)
InChIKeyIBACXGSAIWIMHV-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide

N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 158646360) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID158646360
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC NameN-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OC(C)C)nn23)c1
InChIInChI=1S/C20H21N7O2/c1-12(2)29-20-16(15-9-24-26(4)11-15)6-18-23-10-17(27(18)25-20)13-5-14(8-22-7-13)19(28)21-3/h5-12H,1-4H3,(H,21,28)
InChIKeyIBACXGSAIWIMHV-UHFFFAOYSA-N
XLogP2.34
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Amg-337
CID 44181686
5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135505670
Fgfr2/3-IN-1
CID 156273389
5-(5-Acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135530119
US11566028, Example 3
CID 156273343
US11566028, Example 9
CID 156273425
4-fluoro-N,3-dimethyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 158373510
3,4-difluoro-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 159928129
3-(difluoromethyl)-4-fluoro-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 161384589
N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162265809
4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414864
US10399985, Example 39
CID 118288256

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide (CID 158646360) is N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OC(C)C)nn23)c1.
What is the InChIKey of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is IBACXGSAIWIMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-12(2)29-20-16(15-9-24-26(4)11-15)6-18-23-10-17(27(18)25-20)13-5-14(8-22-7-13)19(28)21-3/h5-12H,1-4H3,(H,21,28).
What are the key properties of N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide?
N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-propan-2-yloxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158646360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).