5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide

C22H26N6O2S — CID 28698187

IUPAC5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCCN3CCOCC3)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C22H26N6O2S/c1-15-13-24-22(26-19(15)18-3-2-12-31-18)28-20(16-4-5-16)17(14-25-28)21(29)23-6-7-27-8-10-30-11-9-27/h2-3,12-14,16H,4-11H2,1H3,(H,23,29)
InChIKeyHMCBUQAHLABNKP-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.64
Rot. Bonds7

About 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (PubChem CID 28698187) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
PubChem CID28698187
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCCN3CCOCC3)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C22H26N6O2S/c1-15-13-24-22(26-19(15)18-3-2-12-31-18)28-20(16-4-5-16)17(14-25-28)21(29)23-6-7-27-8-10-30-11-9-27/h2-3,12-14,16H,4-11H2,1H3,(H,23,29)
InChIKeyHMCBUQAHLABNKP-UHFFFAOYSA-N
XLogP2.64
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (CID 28698187) is 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)NCCN3CCOCC3)c2C2CC2)nc1-c1cccs1.
What is the InChIKey of 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The InChIKey is HMCBUQAHLABNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-15-13-24-22(26-19(15)18-3-2-12-31-18)28-20(16-4-5-16)17(14-25-28)21(29)23-6-7-27-8-10-30-11-9-27/h2-3,12-14,16H,4-11H2,1H3,(H,23,29).
What are the key properties of 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 28698187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).