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

C23H28N6O2 — CID 26274282

IUPAC5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2ccnc(-n3ncc(C(=O)N(C)C4CCN(C)CC4)c3C3CC3)n2)o1
InChIInChI=1S/C23H28N6O2/c1-15-4-7-20(31-15)19-8-11-24-23(26-19)29-21(16-5-6-16)18(14-25-29)22(30)28(3)17-9-12-27(2)13-10-17/h4,7-8,11,14,16-17H,5-6,9-10,12-13H2,1-3H3
InChIKeyHHWJMFWRFULEHP-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.27
Rot. Bonds5

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

5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 26274282) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID26274282
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2ccnc(-n3ncc(C(=O)N(C)C4CCN(C)CC4)c3C3CC3)n2)o1
InChIInChI=1S/C23H28N6O2/c1-15-4-7-20(31-15)19-8-11-24-23(26-19)29-21(16-5-6-16)18(14-25-29)22(30)28(3)17-9-12-27(2)13-10-17/h4,7-8,11,14,16-17H,5-6,9-10,12-13H2,1-3H3
InChIKeyHHWJMFWRFULEHP-UHFFFAOYSA-N
XLogP3.27
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 26274282) is 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is Cc1ccc(-c2ccnc(-n3ncc(C(=O)N(C)C4CCN(C)CC4)c3C3CC3)n2)o1.
What is the InChIKey of 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is HHWJMFWRFULEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-4-7-20(31-15)19-8-11-24-23(26-19)29-21(16-5-6-16)18(14-25-29)22(30)28(3)17-9-12-27(2)13-10-17/h4,7-8,11,14,16-17H,5-6,9-10,12-13H2,1-3H3.
What are the key properties of 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 26274282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).