4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C27H25FN4O2S — CID 73389052

IUPAC4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)N2CC=C(c3ncnc4cc(-c5ccc(F)cc5)sc34)CC2)c1
InChIInChI=1S/C27H25FN4O2S/c1-17(20-4-3-5-22(14-20)34-2)31-27(33)32-12-10-19(11-13-32)25-26-23(29-16-30-25)15-24(35-26)18-6-8-21(28)9-7-18/h3-10,14-17H,11-13H2,1-2H3,(H,31,33)/t17-/m0/s1
InChIKeyPXTPJWQAJBVRMM-KRWDZBQOSA-N
MW488.59 g/mol
LogP6.07
Rot. Bonds5

About 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 73389052) has the molecular formula C27H25FN4O2S and a molecular weight of 488.59 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID73389052
Molecular FormulaC27H25FN4O2S
Molecular Weight488.59 g/mol
Exact Mass488.17
IUPAC Name4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)N2CC=C(c3ncnc4cc(-c5ccc(F)cc5)sc34)CC2)c1
InChIInChI=1S/C27H25FN4O2S/c1-17(20-4-3-5-22(14-20)34-2)31-27(33)32-12-10-19(11-13-32)25-26-23(29-16-30-25)15-24(35-26)18-6-8-21(28)9-7-18/h3-10,14-17H,11-13H2,1-2H3,(H,31,33)/t17-/m0/s1
InChIKeyPXTPJWQAJBVRMM-KRWDZBQOSA-N
XLogP6.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 73389052) is 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide is COc1cccc([C@H](C)NC(=O)N2CC=C(c3ncnc4cc(-c5ccc(F)cc5)sc34)CC2)c1.
What is the InChIKey of 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is PXTPJWQAJBVRMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H25FN4O2S/c1-17(20-4-3-5-22(14-20)34-2)31-27(33)32-12-10-19(11-13-32)25-26-23(29-16-30-25)15-24(35-26)18-6-8-21(28)9-7-18/h3-10,14-17H,11-13H2,1-2H3,(H,31,33)/t17-/m0/s1.
What are the key properties of 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 73389052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).