N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C23H27ClN4O3S — CID 55658689

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCC(c3cccc(Cl)c3)N3CCCC3)sc2n1
InChIInChI=1S/C23H27ClN4O3S/c1-14-19-22(31-3)26-18(13-30-2)27-23(19)32-20(14)21(29)25-12-17(28-9-4-5-10-28)15-7-6-8-16(24)11-15/h6-8,11,17H,4-5,9-10,12-13H2,1-3H3,(H,25,29)
InChIKeyVGKBLKALQFAODY-UHFFFAOYSA-N
MW475.01 g/mol
LogP4.38
Rot. Bonds8

About N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55658689) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55658689
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCC(c3cccc(Cl)c3)N3CCCC3)sc2n1
InChIInChI=1S/C23H27ClN4O3S/c1-14-19-22(31-3)26-18(13-30-2)27-23(19)32-20(14)21(29)25-12-17(28-9-4-5-10-28)15-7-6-8-16(24)11-15/h6-8,11,17H,4-5,9-10,12-13H2,1-3H3,(H,25,29)
InChIKeyVGKBLKALQFAODY-UHFFFAOYSA-N
XLogP4.38
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(methoxymethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 52522398
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55588509
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55847360
N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55635921
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451515
methyl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate
CID 55462191
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55564769
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55721609
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55869198

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55658689) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCC(c3cccc(Cl)c3)N3CCCC3)sc2n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VGKBLKALQFAODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-14-19-22(31-3)26-18(13-30-2)27-23(19)32-20(14)21(29)25-12-17(28-9-4-5-10-28)15-7-6-8-16(24)11-15/h6-8,11,17H,4-5,9-10,12-13H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 475.01 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55658689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).