6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide

C20H21N7O3 — CID 170965480

IUPAC6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1ccn(C)n1
InChIInChI=1S/C20H21N7O3/c1-27-9-8-13(26-27)12-4-3-5-14(18(12)30-2)22-15-10-16(23-20(29)11-6-7-11)24-25-17(15)19(21)28/h3-5,8-11H,6-7H2,1-2H3,(H2,21,28)(H2,22,23,24,29)
InChIKeyZKFNTYXEJOTRMF-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.08
Rot. Bonds7

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide (PubChem CID 170965480) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
PubChem CID170965480
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1ccn(C)n1
InChIInChI=1S/C20H21N7O3/c1-27-9-8-13(26-27)12-4-3-5-14(18(12)30-2)22-15-10-16(23-20(29)11-6-7-11)24-25-17(15)19(21)28/h3-5,8-11H,6-7H2,1-2H3,(H2,21,28)(H2,22,23,24,29)
InChIKeyZKFNTYXEJOTRMF-UHFFFAOYSA-N
XLogP2.08
TPSA137.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide
CID 170965870
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(4-methoxyoxolan-3-yl)pyrazol-3-yl]anilino]pyridazine-3-carboxamide
CID 170965928
6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170719727
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465
N-[4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438611
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 75202034
N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 166171165
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1,3-oxazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 170775386
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
4-[3-(5-dicyclopropylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]-6-(methylcarbamoylamino)pyridazine-3-carboxamide
CID 170719716

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide (CID 170965480) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1ccn(C)n1.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide?
The InChIKey is ZKFNTYXEJOTRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c1-27-9-8-13(26-27)12-4-3-5-14(18(12)30-2)22-15-10-16(23-20(29)11-6-7-11)24-25-17(15)19(21)28/h3-5,8-11H,6-7H2,1-2H3,(H2,21,28)(H2,22,23,24,29).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 170965480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).