N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C24H22F2N6OS — CID 4610370

IUPACN-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)Nc3c(F)cccc3F)sc2n1
InChIInChI=1S/C24H22F2N6OS/c1-14-19-22(32-12-10-31(11-13-32)18-8-3-4-9-27-18)28-15(2)29-24(19)34-21(14)23(33)30-20-16(25)6-5-7-17(20)26/h3-9H,10-13H2,1-2H3,(H,30,33)
InChIKeyLJPOQUDPSZPKEB-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.56
Rot. Bonds4

About N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4610370) has the molecular formula C24H22F2N6OS and a molecular weight of 480.54 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4610370
Molecular FormulaC24H22F2N6OS
Molecular Weight480.54 g/mol
Exact Mass480.15
IUPAC NameN-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)Nc3c(F)cccc3F)sc2n1
InChIInChI=1S/C24H22F2N6OS/c1-14-19-22(32-12-10-31(11-13-32)18-8-3-4-9-27-18)28-15(2)29-24(19)34-21(14)23(33)30-20-16(25)6-5-7-17(20)26/h3-9H,10-13H2,1-2H3,(H,30,33)
InChIKeyLJPOQUDPSZPKEB-UHFFFAOYSA-N
XLogP4.56
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4610370) is N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)Nc3c(F)cccc3F)sc2n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LJPOQUDPSZPKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6OS/c1-14-19-22(32-12-10-31(11-13-32)18-8-3-4-9-27-18)28-15(2)29-24(19)34-21(14)23(33)30-20-16(25)6-5-7-17(20)26/h3-9H,10-13H2,1-2H3,(H,30,33).
What are the key properties of N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4610370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).