N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide

C24H24FN5O4S — CID 159844835

IUPACN-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC3(c4ccnc(CS(=O)(=O)C5CC5)n4)CC3)c(F)c2)n1
InChIInChI=1S/C24H24FN5O4S/c1-2-34-22-13-26-12-19(28-22)15-3-6-17(18(25)11-15)23(31)30-24(8-9-24)20-7-10-27-21(29-20)14-35(32,33)16-4-5-16/h3,6-7,10-13,16H,2,4-5,8-9,14H2,1H3,(H,30,31)
InChIKeyNPDWJAUIUZAVOJ-UHFFFAOYSA-N
MW497.55 g/mol
LogP2.97
Rot. Bonds9

About N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide

N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (PubChem CID 159844835) has the molecular formula C24H24FN5O4S and a molecular weight of 497.55 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
PubChem CID159844835
Molecular FormulaC24H24FN5O4S
Molecular Weight497.55 g/mol
Exact Mass497.15
IUPAC NameN-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC3(c4ccnc(CS(=O)(=O)C5CC5)n4)CC3)c(F)c2)n1
InChIInChI=1S/C24H24FN5O4S/c1-2-34-22-13-26-12-19(28-22)15-3-6-17(18(25)11-15)23(31)30-24(8-9-24)20-7-10-27-21(29-20)14-35(32,33)16-4-5-16/h3,6-7,10-13,16H,2,4-5,8-9,14H2,1H3,(H,30,31)
InChIKeyNPDWJAUIUZAVOJ-UHFFFAOYSA-N
XLogP2.97
TPSA124.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The IUPAC name of N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (CID 159844835) is N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is CCOc1cncc(-c2ccc(C(=O)NC3(c4ccnc(CS(=O)(=O)C5CC5)n4)CC3)c(F)c2)n1.
What is the InChIKey of N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The InChIKey is NPDWJAUIUZAVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4S/c1-2-34-22-13-26-12-19(28-22)15-3-6-17(18(25)11-15)23(31)30-24(8-9-24)20-7-10-27-21(29-20)14-35(32,33)16-4-5-16/h3,6-7,10-13,16H,2,4-5,8-9,14H2,1H3,(H,30,31).
What are the key properties of N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide has a molecular weight of 497.55 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 159844835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).