N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide

C32H34F3N5O5 — CID 10290110

IUPACN-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
SMILESCOc1nc(NCc2ccc(C(F)(F)F)nc2)nc(OC)c1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1
InChIInChI=1S/C32H34F3N5O5/c1-17-12-21-22(31(4,5)45-30(21,2)3)14-19(17)13-20-9-10-23(44-20)26(41)38-25-27(42-6)39-29(40-28(25)43-7)37-16-18-8-11-24(36-15-18)32(33,34)35/h8-12,14-15H,13,16H2,1-7H3,(H,38,41)(H,37,39,40)
InChIKeyDUOAZDDOHCSLIX-UHFFFAOYSA-N
MW625.65 g/mol
LogP6.76
Rot. Bonds9

About N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide

N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide (PubChem CID 10290110) has the molecular formula C32H34F3N5O5 and a molecular weight of 625.65 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
PubChem CID10290110
Molecular FormulaC32H34F3N5O5
Molecular Weight625.65 g/mol
Exact Mass625.25
IUPAC NameN-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
SMILESCOc1nc(NCc2ccc(C(F)(F)F)nc2)nc(OC)c1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1
InChIInChI=1S/C32H34F3N5O5/c1-17-12-21-22(31(4,5)45-30(21,2)3)14-19(17)13-20-9-10-23(44-20)26(41)38-25-27(42-6)39-29(40-28(25)43-7)37-16-18-8-11-24(36-15-18)32(33,34)35/h8-12,14-15H,13,16H2,1-7H3,(H,38,41)(H,37,39,40)
InChIKeyDUOAZDDOHCSLIX-UHFFFAOYSA-N
XLogP6.76
TPSA120.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.65
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide (CID 10290110) is N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide is COc1nc(NCc2ccc(C(F)(F)F)nc2)nc(OC)c1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1.
What is the InChIKey of N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
The InChIKey is DUOAZDDOHCSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O5/c1-17-12-21-22(31(4,5)45-30(21,2)3)14-19(17)13-20-9-10-23(44-20)26(41)38-25-27(42-6)39-29(40-28(25)43-7)37-16-18-8-11-24(36-15-18)32(33,34)35/h8-12,14-15H,13,16H2,1-7H3,(H,38,41)(H,37,39,40).
What are the key properties of N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide has a molecular weight of 625.65 g/mol, XLogP of 6.76, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 10290110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).