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

C24H23FN6OS — CID 4610369

IUPACN-(2-fluorophenyl)-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)Nc3ccccc3F)sc2n1
InChIInChI=1S/C24H23FN6OS/c1-15-20-22(31-13-11-30(12-14-31)19-9-5-6-10-26-19)27-16(2)28-24(20)33-21(15)23(32)29-18-8-4-3-7-17(18)25/h3-10H,11-14H2,1-2H3,(H,29,32)
InChIKeyMQGJROYFUJOZMF-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.42
Rot. Bonds4

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

N-(2-fluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4610369) has the molecular formula C24H23FN6OS and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4610369
Molecular FormulaC24H23FN6OS
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC NameN-(2-fluorophenyl)-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)Nc3ccccc3F)sc2n1
InChIInChI=1S/C24H23FN6OS/c1-15-20-22(31-13-11-30(12-14-31)19-9-5-6-10-26-19)27-16(2)28-24(20)33-21(15)23(32)29-18-8-4-3-7-17(18)25/h3-10H,11-14H2,1-2H3,(H,29,32)
InChIKeyMQGJROYFUJOZMF-UHFFFAOYSA-N
XLogP4.42
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4610369) is N-(2-fluorophenyl)-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-fluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-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)Nc3ccccc3F)sc2n1.
What is the InChIKey of N-(2-fluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MQGJROYFUJOZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6OS/c1-15-20-22(31-13-11-30(12-14-31)19-9-5-6-10-26-19)27-16(2)28-24(20)33-21(15)23(32)29-18-8-4-3-7-17(18)25/h3-10H,11-14H2,1-2H3,(H,29,32).
What are the key properties of N-(2-fluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-fluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4610369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).