N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C24H19F2N5O3S — CID 55933793

IUPACN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3ccc4nc(-c5cc(F)ccc5F)[nH]c4c3)sc2n1
InChIInChI=1S/C24H19F2N5O3S/c1-11-19-23(34-3)30-18(10-33-2)31-24(19)35-20(11)22(32)27-13-5-7-16-17(9-13)29-21(28-16)14-8-12(25)4-6-15(14)26/h4-9H,10H2,1-3H3,(H,27,32)(H,28,29)
InChIKeyVFYHTXDCUBJSMT-UHFFFAOYSA-N
MW495.51 g/mol
LogP5.23
Rot. Bonds6

About N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55933793) has the molecular formula C24H19F2N5O3S and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55933793
Molecular FormulaC24H19F2N5O3S
Molecular Weight495.51 g/mol
Exact Mass495.12
IUPAC NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3ccc4nc(-c5cc(F)ccc5F)[nH]c4c3)sc2n1
InChIInChI=1S/C24H19F2N5O3S/c1-11-19-23(34-3)30-18(10-33-2)31-24(19)35-20(11)22(32)27-13-5-7-16-17(9-13)29-21(28-16)14-8-12(25)4-6-15(14)26/h4-9H,10H2,1-3H3,(H,27,32)(H,28,29)
InChIKeyVFYHTXDCUBJSMT-UHFFFAOYSA-N
XLogP5.23
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55573855
4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55564769
4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55453289
N-(4-hydroxy-2-methylphenyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 99810135
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47066056
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55498148
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55869198
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 55933919
4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134061802
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55933923
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451194

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55933793) is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc4nc(-c5cc(F)ccc5F)[nH]c4c3)sc2n1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VFYHTXDCUBJSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3S/c1-11-19-23(34-3)30-18(10-33-2)31-24(19)35-20(11)22(32)27-13-5-7-16-17(9-13)29-21(28-16)14-8-12(25)4-6-15(14)26/h4-9H,10H2,1-3H3,(H,27,32)(H,28,29).
What are the key properties of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55933793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).