N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide

C20H26N8O2 — CID 174210593

IUPACN-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCCn1nccc1-c1cc(N2CCOCC2C)nnc1C(C)NC(=O)c1ccn[nH]1
InChIInChI=1S/C20H26N8O2/c1-4-28-17(6-8-22-28)15-11-18(27-9-10-30-12-13(27)2)25-26-19(15)14(3)23-20(29)16-5-7-21-24-16/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,21,24)(H,23,29)
InChIKeyYBOKTZLECDVKDX-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.80
Rot. Bonds6

About N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide

N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 174210593) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID174210593
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCCn1nccc1-c1cc(N2CCOCC2C)nnc1C(C)NC(=O)c1ccn[nH]1
InChIInChI=1S/C20H26N8O2/c1-4-28-17(6-8-22-28)15-11-18(27-9-10-30-12-13(27)2)25-26-19(15)14(3)23-20(29)16-5-7-21-24-16/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,21,24)(H,23,29)
InChIKeyYBOKTZLECDVKDX-UHFFFAOYSA-N
XLogP1.80
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[4-(2-ethylpyrazol-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 169096546
4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine
CID 174206075
(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 169096561
1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
CID 170928633
3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one
CID 167660757
N-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 178015819
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446428
4-(3,5-dimethyltriazol-4-yl)-3-methyl-6-(3-methylmorpholin-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 170305522
(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
CID 175136170
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175910822

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide (CID 174210593) is N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide is CCn1nccc1-c1cc(N2CCOCC2C)nnc1C(C)NC(=O)c1ccn[nH]1.
What is the InChIKey of N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YBOKTZLECDVKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-4-28-17(6-8-22-28)15-11-18(27-9-10-30-12-13(27)2)25-26-19(15)14(3)23-20(29)16-5-7-21-24-16/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,21,24)(H,23,29).
What are the key properties of N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 174210593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).