N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide

C34H38N8O3 — CID 131980344

IUPACN-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide
SMILESCC1=C(C)N(c2cccnc2)C(O)C(C(=O)Nc2ccc(-c3cc(C4CCN(C(=O)C(C)C)CC4)n4ncnc(N)c34)cc2)=C1
InChIInChI=1S/C34H38N8O3/c1-20(2)33(44)40-14-11-24(12-15-40)29-17-27(30-31(35)37-19-38-42(29)30)23-7-9-25(10-8-23)39-32(43)28-16-21(3)22(4)41(34(28)45)26-6-5-13-36-18-26/h5-10,13,16-20,24,34,45H,11-12,14-15H2,1-4H3,(H,39,43)(H2,35,37,38)
InChIKeyLIWXNVIZSYJWJP-UHFFFAOYSA-N
MW606.73 g/mol
LogP4.73
Rot. Bonds6

About N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide

N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide (PubChem CID 131980344) has the molecular formula C34H38N8O3 and a molecular weight of 606.73 g/mol. Its IUPAC name is N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide
PubChem CID131980344
Molecular FormulaC34H38N8O3
Molecular Weight606.73 g/mol
Exact Mass606.31
IUPAC NameN-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide
SMILESCC1=C(C)N(c2cccnc2)C(O)C(C(=O)Nc2ccc(-c3cc(C4CCN(C(=O)C(C)C)CC4)n4ncnc(N)c34)cc2)=C1
InChIInChI=1S/C34H38N8O3/c1-20(2)33(44)40-14-11-24(12-15-40)29-17-27(30-31(35)37-19-38-42(29)30)23-7-9-25(10-8-23)39-32(43)28-16-21(3)22(4)41(34(28)45)26-6-5-13-36-18-26/h5-10,13,16-20,24,34,45H,11-12,14-15H2,1-4H3,(H,39,43)(H2,35,37,38)
InChIKeyLIWXNVIZSYJWJP-UHFFFAOYSA-N
XLogP4.73
TPSA141.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.73
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-cyclopropyl-2,4-dioxo-3-pyridin-3-yl-1,3-diazinane-5-carboxamide
CID 146047886
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-hydroxy-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166937823
4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
CID 175734496
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 130466343
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(3-bromophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 130447768
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-5-bromo-6-(ethoxymethyl)-2-oxo-1-phenylpyridine-3-carboxamide
CID 130447818
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-5-ethenyl-6-methyl-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide
CID 130447732
methyl 5-[[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]carbamoyl]-3-bromo-1-(4-fluorophenyl)-6-oxopyridine-2-carboxylate
CID 150720176
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-5-(5-cyano-3-pyridinyl)-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 130471085
N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166937788
6-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-cyclopropyl-2,4-dioxo-3-phenylpyrimidine-5-carboxamide
CID 175734485
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(2,5-difluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 130466309

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide (CID 131980344) is N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide is CC1=C(C)N(c2cccnc2)C(O)C(C(=O)Nc2ccc(-c3cc(C4CCN(C(=O)C(C)C)CC4)n4ncnc(N)c34)cc2)=C1.
What is the InChIKey of N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide?
The InChIKey is LIWXNVIZSYJWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O3/c1-20(2)33(44)40-14-11-24(12-15-40)29-17-27(30-31(35)37-19-38-42(29)30)23-7-9-25(10-8-23)39-32(43)28-16-21(3)22(4)41(34(28)45)26-6-5-13-36-18-26/h5-10,13,16-20,24,34,45H,11-12,14-15H2,1-4H3,(H,39,43)(H2,35,37,38).
What are the key properties of N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide?
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide has a molecular weight of 606.73 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 131980344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).