N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide

C35H37N7O5 — CID 169085125

IUPACN-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccccn5)c4=O)cc3)c3c(N)noc3c2)CC1
InChIInChI=1S/C35H37N7O5/c1-20(2)33(44)40-15-12-22(13-16-40)24-17-26(30-28(18-24)47-39-31(30)36)23-8-10-25(11-9-23)38-32(43)27-19-41(21(3)4)35(46)42(34(27)45)29-7-5-6-14-37-29/h5-11,14,17-22H,12-13,15-16H2,1-4H3,(H2,36,39)(H,38,43)
InChIKeyFBCBNGPWBCXCLV-UHFFFAOYSA-N
MW635.73 g/mol
LogP4.98
Rot. Bonds7

About N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide

N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 169085125) has the molecular formula C35H37N7O5 and a molecular weight of 635.73 g/mol. Its IUPAC name is N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID169085125
Molecular FormulaC35H37N7O5
Molecular Weight635.73 g/mol
Exact Mass635.29
IUPAC NameN-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccccn5)c4=O)cc3)c3c(N)noc3c2)CC1
InChIInChI=1S/C35H37N7O5/c1-20(2)33(44)40-15-12-22(13-16-40)24-17-26(30-28(18-24)47-39-31(30)36)23-8-10-25(11-9-23)38-32(43)27-19-41(21(3)4)35(46)42(34(27)45)29-7-5-6-14-37-29/h5-11,14,17-22H,12-13,15-16H2,1-4H3,(H2,36,39)(H,38,43)
InChIKeyFBCBNGPWBCXCLV-UHFFFAOYSA-N
XLogP4.98
TPSA158.35 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.73
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
CID 169085131
N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
CID 169085137
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]-3-(2,5-difluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 130466309
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
1-[4-[4-amino-5-(4-aminophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidin-1-yl]-2-methylpropan-1-one;bis(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-pyridin-2-ylpyrimidine-5-carboxamide);5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;(Z)-but-2-enedioic acid;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;deuteriomethane;2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxylic acid;ethane;methane;2-methylpropanoyl chloride;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;hydroiodide
CID 167691206
tert-butyl 4-[4-amino-5-[4-[(2,4-dioxo-3-phenyl-1-propan-2-ylpyrimidine-5-carbonyl)amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate
CID 130447752
6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
CID 175918317
N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 169085170
1-[4-[3-amino-4-(4-aminophenyl)-1-methylindazol-6-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 175884172
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide (CID 169085125) is N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide is CC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccccn5)c4=O)cc3)c3c(N)noc3c2)CC1.
What is the InChIKey of N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is FBCBNGPWBCXCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N7O5/c1-20(2)33(44)40-15-12-22(13-16-40)24-17-26(30-28(18-24)47-39-31(30)36)23-8-10-25(11-9-23)38-32(43)27-19-41(21(3)4)35(46)42(34(27)45)29-7-5-6-14-37-29/h5-11,14,17-22H,12-13,15-16H2,1-4H3,(H2,36,39)(H,38,43).
What are the key properties of N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 635.73 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 169085125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).