5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide

C22H26N6O3 — CID 28953542

IUPAC5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2ccnc(-n3ncc(C(=O)NCCN4CCOCC4)c3C3CC3)n2)o1
InChIInChI=1S/C22H26N6O3/c1-15-2-5-19(31-15)18-6-7-24-22(26-18)28-20(16-3-4-16)17(14-25-28)21(29)23-8-9-27-10-12-30-13-11-27/h2,5-7,14,16H,3-4,8-13H2,1H3,(H,23,29)
InChIKeyHWKLNOZTWWWNQT-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.17
Rot. Bonds7

About 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (PubChem CID 28953542) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
PubChem CID28953542
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2ccnc(-n3ncc(C(=O)NCCN4CCOCC4)c3C3CC3)n2)o1
InChIInChI=1S/C22H26N6O3/c1-15-2-5-19(31-15)18-6-7-24-22(26-18)28-20(16-3-4-16)17(14-25-28)21(29)23-8-9-27-10-12-30-13-11-27/h2,5-7,14,16H,3-4,8-13H2,1H3,(H,23,29)
InChIKeyHWKLNOZTWWWNQT-UHFFFAOYSA-N
XLogP2.17
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (CID 28953542) is 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is Cc1ccc(-c2ccnc(-n3ncc(C(=O)NCCN4CCOCC4)c3C3CC3)n2)o1.
What is the InChIKey of 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The InChIKey is HWKLNOZTWWWNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-15-2-5-19(31-15)18-6-7-24-22(26-18)28-20(16-3-4-16)17(14-25-28)21(29)23-8-9-27-10-12-30-13-11-27/h2,5-7,14,16H,3-4,8-13H2,1H3,(H,23,29).
What are the key properties of 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 28953542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).