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

C35H36N8O4 — CID 175734485

IUPAC6-[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
SMILESCC(C)C(=O)N1CCC(c2cc(-c3ccc(-c4c(C(N)=O)c(=O)n(-c5ccccc5)c(=O)n4C4CC4)cc3)c3c(N)ncnn23)CC1
InChIInChI=1S/C35H36N8O4/c1-20(2)33(45)40-16-14-22(15-17-40)27-18-26(30-31(36)38-19-39-43(27)30)21-8-10-23(11-9-21)29-28(32(37)44)34(46)42(24-6-4-3-5-7-24)35(47)41(29)25-12-13-25/h3-11,18-20,22,25H,12-17H2,1-2H3,(H2,37,44)(H2,36,38,39)
InChIKeyUUNBLASGABNLGP-UHFFFAOYSA-N
MW632.73 g/mol
LogP3.75
Rot. Bonds7

About 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

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 (PubChem CID 175734485) has the molecular formula C35H36N8O4 and a molecular weight of 632.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID175734485
Molecular FormulaC35H36N8O4
Molecular Weight632.73 g/mol
Exact Mass632.29
IUPAC Name6-[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
SMILESCC(C)C(=O)N1CCC(c2cc(-c3ccc(-c4c(C(N)=O)c(=O)n(-c5ccccc5)c(=O)n4C4CC4)cc3)c3c(N)ncnn23)CC1
InChIInChI=1S/C35H36N8O4/c1-20(2)33(45)40-16-14-22(15-17-40)27-18-26(30-31(36)38-19-39-43(27)30)21-8-10-23(11-9-21)29-28(32(37)44)34(46)42(24-6-4-3-5-7-24)35(47)41(29)25-12-13-25/h3-11,18-20,22,25H,12-17H2,1-2H3,(H2,37,44)(H2,36,38,39)
InChIKeyUUNBLASGABNLGP-UHFFFAOYSA-N
XLogP3.75
TPSA163.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.73
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)N1CCC(c2cc(-c3ccc(-c4c(C(N)=O)c(=O)n(-c5ccccc5)c(=O)n4C4CC4)cc3)c3c(N)ncnn23)CC1.
What is the InChIKey of 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?
The InChIKey is UUNBLASGABNLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N8O4/c1-20(2)33(45)40-16-14-22(15-17-40)27-18-26(30-31(36)38-19-39-43(27)30)21-8-10-23(11-9-21)29-28(32(37)44)34(46)42(24-6-4-3-5-7-24)35(47)41(29)25-12-13-25/h3-11,18-20,22,25H,12-17H2,1-2H3,(H2,37,44)(H2,36,38,39).
What are the key properties of 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?
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 has a molecular weight of 632.73 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175734485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).