N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide

C25H23F3N10O4 — CID 162575184

IUPACN-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide
SMILESCNc1ncn(C2(C(=O)Nc3ccnc(-c4cnc(C)c(C(F)(F)F)c4)n3)CC2)c1C(=O)N(C=O)Cc1noc(C)n1
InChIInChI=1S/C25H23F3N10O4/c1-13-16(25(26,27)28)8-15(9-31-13)20-30-7-4-17(34-20)35-23(41)24(5-6-24)38-11-32-21(29-3)19(38)22(40)37(12-39)10-18-33-14(2)42-36-18/h4,7-9,11-12,29H,5-6,10H2,1-3H3,(H,30,34,35,41)
InChIKeyWLBPAOLUCGLGHE-UHFFFAOYSA-N
MW584.52 g/mol
LogP2.72
Rot. Bonds9

About N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide

N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide (PubChem CID 162575184) has the molecular formula C25H23F3N10O4 and a molecular weight of 584.52 g/mol. Its IUPAC name is N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide
PubChem CID162575184
Molecular FormulaC25H23F3N10O4
Molecular Weight584.52 g/mol
Exact Mass584.19
IUPAC NameN-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide
SMILESCNc1ncn(C2(C(=O)Nc3ccnc(-c4cnc(C)c(C(F)(F)F)c4)n3)CC2)c1C(=O)N(C=O)Cc1noc(C)n1
InChIInChI=1S/C25H23F3N10O4/c1-13-16(25(26,27)28)8-15(9-31-13)20-30-7-4-17(34-20)35-23(41)24(5-6-24)38-11-32-21(29-3)19(38)22(40)37(12-39)10-18-33-14(2)42-36-18/h4,7-9,11-12,29H,5-6,10H2,1-3H3,(H,30,34,35,41)
InChIKeyWLBPAOLUCGLGHE-UHFFFAOYSA-N
XLogP2.72
TPSA173.92 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 162575205
2-[3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propanamide
CID 118961103
N-but-2-ynyl-N-formyl-5-(methylamino)-3-[1-[[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide
CID 162575180
N-methyl-5-(methylamino)-3-[1-oxo-1-[[2-[2-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]imidazole-4-carboxamide
CID 123236324
N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-1-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]cyclopropane-1-carboxamide
CID 152905544
(2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
CID 130467859
N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide
CID 123673430
N',N'-dimethyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxamide
CID 137366751
1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide
CID 162615328
3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide
CID 146490012
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320135
N-methyl-5-(methylamino)-3-[1-oxo-1-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]imidazole-4-carboxamide
CID 123823625

Frequently Asked Questions

What is the IUPAC name of N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide?
The IUPAC name of N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide (CID 162575184) is N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide.
What is the SMILES notation for N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide?
The canonical SMILES for N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide is CNc1ncn(C2(C(=O)Nc3ccnc(-c4cnc(C)c(C(F)(F)F)c4)n3)CC2)c1C(=O)N(C=O)Cc1noc(C)n1.
What is the InChIKey of N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide?
The InChIKey is WLBPAOLUCGLGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N10O4/c1-13-16(25(26,27)28)8-15(9-31-13)20-30-7-4-17(34-20)35-23(41)24(5-6-24)38-11-32-21(29-3)19(38)22(40)37(12-39)10-18-33-14(2)42-36-18/h4,7-9,11-12,29H,5-6,10H2,1-3H3,(H,30,34,35,41).
What are the key properties of N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide?
N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide has a molecular weight of 584.52 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-5-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-[[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]carbamoyl]cyclopropyl]imidazole-4-carboxamide is sourced from PubChem (CID 162575184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).