8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C47H51F2N15O2 — CID 167501699

IUPAC8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCNC1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(CC5CC5N[C@@H]5CCN(c6ccc(C(=O)Nc7cc(F)c8nc(C)cn8c7)n7nc(C)nc67)C5)cn4c3)n3nc(CC)cc23)C1
InChIInChI=1S/C47H51F2N15O2/c1-5-29-19-42-38(59-13-11-30(21-59)50-6-2)7-9-40(63(42)58-29)46(65)55-34-18-36(49)44-54-32(23-62(44)25-34)15-28-16-37(28)53-31-12-14-60(22-31)39-8-10-41(64-45(39)52-27(4)57-64)47(66)56-33-17-35(48)43-51-26(3)20-61(43)24-33/h7-10,17-20,23-25,28,30-31,37,50,53H,5-6,11-16,21-22H2,1-4H3,(H,55,65)(H,56,66)/t28?,30?,31-,37?/m1/s1
InChIKeyFCPKECBYFPUZKA-JGVQTXJTSA-N
MW896.02 g/mol
LogP5.62
Rot. Bonds13

About 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 167501699) has the molecular formula C47H51F2N15O2 and a molecular weight of 896.02 g/mol. Its IUPAC name is 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID167501699
Molecular FormulaC47H51F2N15O2
Molecular Weight896.02 g/mol
Exact Mass895.43
IUPAC Name8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCNC1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(CC5CC5N[C@@H]5CCN(c6ccc(C(=O)Nc7cc(F)c8nc(C)cn8c7)n7nc(C)nc67)C5)cn4c3)n3nc(CC)cc23)C1
InChIInChI=1S/C47H51F2N15O2/c1-5-29-19-42-38(59-13-11-30(21-59)50-6-2)7-9-40(63(42)58-29)46(65)55-34-18-36(49)44-54-32(23-62(44)25-34)15-28-16-37(28)53-31-12-14-60(22-31)39-8-10-41(64-45(39)52-27(4)57-64)47(66)56-33-17-35(48)43-51-26(3)20-61(43)24-33/h7-10,17-20,23-25,28,30-31,37,50,53H,5-6,11-16,21-22H2,1-4H3,(H,55,65)(H,56,66)/t28?,30?,31-,37?/m1/s1
InChIKeyFCPKECBYFPUZKA-JGVQTXJTSA-N
XLogP5.62
TPSA170.83 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500896.02
LogP ≤ 55.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide with MolForge

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Related Compounds

7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 162672157
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
N-(6-(1-(1-(2-aminoacetyl)piperidin-4-yl)-2-cyclopropyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 90246264
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(1-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538666
N-(6-(2-cyclopropyl-4-(4-fluorophenyl)-1-(1-(pyridin-4-ylcarbamoyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538771
N-(6-(1-(1-((1H-pyrazol-5-yl)methyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118539006
N-(6-(1-(1-(2-amino-2-oxoethyl)piperidin-4-yl)-2-cyclopropyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo [1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118539018
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-((1-methylpiperidin-4-yl)methyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-6]pyridazin-2-yl)isonicotinamide
CID 118547765
(13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 53242190
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methylpyridine-2-carboxamide
CID 58386273
4-[8-amino-3-[(8R)-3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901788
(S)-4-(8-amino-3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76901982

Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 167501699) is 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is CCNC1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(CC5CC5N[C@@H]5CCN(c6ccc(C(=O)Nc7cc(F)c8nc(C)cn8c7)n7nc(C)nc67)C5)cn4c3)n3nc(CC)cc23)C1.
What is the InChIKey of 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is FCPKECBYFPUZKA-JGVQTXJTSA-N. The full InChI is InChI=1S/C47H51F2N15O2/c1-5-29-19-42-38(59-13-11-30(21-59)50-6-2)7-9-40(63(42)58-29)46(65)55-34-18-36(49)44-54-32(23-62(44)25-34)15-28-16-37(28)53-31-12-14-60(22-31)39-8-10-41(64-45(39)52-27(4)57-64)47(66)56-33-17-35(48)43-51-26(3)20-61(43)24-33/h7-10,17-20,23-25,28,30-31,37,50,53H,5-6,11-16,21-22H2,1-4H3,(H,55,65)(H,56,66)/t28?,30?,31-,37?/m1/s1.
What are the key properties of 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 896.02 g/mol, XLogP of 5.62, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-3-[[2-[[6-[[2-ethyl-4-[3-(ethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonyl]amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]cyclopropyl]amino]pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 167501699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).