6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide

C31H31FN8O4 — CID 167486648

IUPAC6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccc(C)c(-c2cnc(C(=O)N(C)Cc3ccccn3)c(F)c2)c1OC
InChIInChI=1S/C31H31FN8O4/c1-17-8-11-22(36-23-14-24(37-29(41)18-9-10-18)38-39-27(23)30(42)33-2)28(44-4)25(17)19-13-21(32)26(35-15-19)31(43)40(3)16-20-7-5-6-12-34-20/h5-8,11-15,18H,9-10,16H2,1-4H3,(H,33,42)(H2,36,37,38,41)
InChIKeyAQYICMFMZSKTOY-UHFFFAOYSA-N
MW598.64 g/mol
LogP4.11
Rot. Bonds10

About 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide (PubChem CID 167486648) has the molecular formula C31H31FN8O4 and a molecular weight of 598.64 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide
PubChem CID167486648
Molecular FormulaC31H31FN8O4
Molecular Weight598.64 g/mol
Exact Mass598.25
IUPAC Name6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccc(C)c(-c2cnc(C(=O)N(C)Cc3ccccn3)c(F)c2)c1OC
InChIInChI=1S/C31H31FN8O4/c1-17-8-11-22(36-23-14-24(37-29(41)18-9-10-18)38-39-27(23)30(42)33-2)28(44-4)25(17)19-13-21(32)26(35-15-19)31(43)40(3)16-20-7-5-6-12-34-20/h5-8,11-15,18H,9-10,16H2,1-4H3,(H,33,42)(H2,36,37,38,41)
InChIKeyAQYICMFMZSKTOY-UHFFFAOYSA-N
XLogP4.11
TPSA151.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.64
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide with MolForge

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 167672513
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
6-(cyclopropanecarbonylamino)-4-[3-[4-[(2,2-difluorocyclopentyl)methyl-methylcarbamoyl]phenyl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
CID 167486508
6-(cyclopropanecarbonylamino)-4-[3-[5-(diethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028701
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028726
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
CID 170318085
6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
CID 160880208
3-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide
CID 166584992
4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
CID 123427816
N-[5-[3-(5-fluoro-6-methyl-3-pyridinyl)-2-methoxyanilino]-6-formylpyridazin-3-yl]cyclopropanecarboxamide
CID 167486253
6-[(1,1-dioxothietane-3-carbonyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 166780262

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide (CID 167486648) is 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccc(C)c(-c2cnc(C(=O)N(C)Cc3ccccn3)c(F)c2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide?
The InChIKey is AQYICMFMZSKTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN8O4/c1-17-8-11-22(36-23-14-24(37-29(41)18-9-10-18)38-39-27(23)30(42)33-2)28(44-4)25(17)19-13-21(32)26(35-15-19)31(43)40(3)16-20-7-5-6-12-34-20/h5-8,11-15,18H,9-10,16H2,1-4H3,(H,33,42)(H2,36,37,38,41).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 598.64 g/mol, XLogP of 4.11, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 167486648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).