trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C27H27N9O — CID 159289563

IUPACtrans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESC=C1c2nc(C)c(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5c5cnn(C)c5)ncc4c(N)n3)c(C)c2C=NN1C
InChIInChI=1S/C27H27N9O/c1-13-20-11-31-36(5)15(3)25(20)32-14(2)24(13)22-6-16-7-23(29-10-21(16)26(28)33-22)34-27(37)19-8-18(19)17-9-30-35(4)12-17/h6-7,9-12,18-19H,3,8H2,1-2,4-5H3,(H2,28,33)(H,29,34,37)/t18-,19+/m1/s1
InChIKeyWVOSTSDOHUDKBK-MOPGFXCFSA-N
MW493.58 g/mol
LogP3.62
Rot. Bonds4

About trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 159289563) has the molecular formula C27H27N9O and a molecular weight of 493.58 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID159289563
Molecular FormulaC27H27N9O
Molecular Weight493.58 g/mol
Exact Mass493.23
IUPAC Nametrans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESC=C1c2nc(C)c(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5c5cnn(C)c5)ncc4c(N)n3)c(C)c2C=NN1C
InChIInChI=1S/C27H27N9O/c1-13-20-11-31-36(5)15(3)25(20)32-14(2)24(13)22-6-16-7-23(29-10-21(16)26(28)33-22)34-27(37)19-8-18(19)17-9-30-35(4)12-17/h6-7,9-12,18-19H,3,8H2,1-2,4-5H3,(H2,28,33)(H,29,34,37)/t18-,19+/m1/s1
InChIKeyWVOSTSDOHUDKBK-MOPGFXCFSA-N
XLogP3.62
TPSA127.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 157256552
trans-(1R,2R)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 159778719
trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344559
trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344726
trans-(1S,2S)-N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 139468977
trans-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344959
trans-(1S,2S)-N-[8-amino-6-(2-chloro-5-cyanophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 139468794
trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 142447635
(4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 135344783
6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 161125132
methyl (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139468666
(2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 139468959

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 159289563) is trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is C=C1c2nc(C)c(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5c5cnn(C)c5)ncc4c(N)n3)c(C)c2C=NN1C.
What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is WVOSTSDOHUDKBK-MOPGFXCFSA-N. The full InChI is InChI=1S/C27H27N9O/c1-13-20-11-31-36(5)15(3)25(20)32-14(2)24(13)22-6-16-7-23(29-10-21(16)26(28)33-22)34-27(37)19-8-18(19)17-9-30-35(4)12-17/h6-7,9-12,18-19H,3,8H2,1-2,4-5H3,(H2,28,33)(H,29,34,37)/t18-,19+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 493.58 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[8-amino-6-(2,4,7-trimethyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159289563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).