N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C23H21ClN6OS — CID 73388633

IUPACN-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1nn(C)cc1-c1cc2ncnc(C3=CCN(C(=O)Nc4ccc(Cl)cc4)CC3)c2s1
InChIInChI=1S/C23H21ClN6OS/c1-14-18(12-29(2)28-14)20-11-19-22(32-20)21(26-13-25-19)15-7-9-30(10-8-15)23(31)27-17-5-3-16(24)4-6-17/h3-7,11-13H,8-10H2,1-2H3,(H,27,31)
InChIKeyIVMVDFSLLZSRTB-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.37
Rot. Bonds3

About N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 73388633) has the molecular formula C23H21ClN6OS and a molecular weight of 464.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID73388633
Molecular FormulaC23H21ClN6OS
Molecular Weight464.98 g/mol
Exact Mass464.12
IUPAC NameN-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1nn(C)cc1-c1cc2ncnc(C3=CCN(C(=O)Nc4ccc(Cl)cc4)CC3)c2s1
InChIInChI=1S/C23H21ClN6OS/c1-14-18(12-29(2)28-14)20-11-19-22(32-20)21(26-13-25-19)15-7-9-30(10-8-15)23(31)27-17-5-3-16(24)4-6-17/h3-7,11-13H,8-10H2,1-2H3,(H,27,31)
InChIKeyIVMVDFSLLZSRTB-UHFFFAOYSA-N
XLogP5.37
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 73388633) is N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1nn(C)cc1-c1cc2ncnc(C3=CCN(C(=O)Nc4ccc(Cl)cc4)CC3)c2s1.
What is the InChIKey of N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is IVMVDFSLLZSRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6OS/c1-14-18(12-29(2)28-14)20-11-19-22(32-20)21(26-13-25-19)15-7-9-30(10-8-15)23(31)27-17-5-3-16(24)4-6-17/h3-7,11-13H,8-10H2,1-2H3,(H,27,31).
What are the key properties of N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 464.98 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 73388633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).