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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Related Compounds

1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
3-[(2S,4S)-2-ethyloxan-4-yl]-12-(1-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 60166171
Pyrimidine-4-carboxamide, 91
CID 44520971
Pyrimidine-4-carboxamide, 93
CID 44520972
Pyrimidine-4-carboxamide, 92
CID 44520973
Pyrimidine-4-carboxamide, 94
CID 44520974
Pyrimidine-4-carboxamide, 28
CID 44520987
Pyrimidine-4-carboxamide, 110
CID 11416448
3,4-dihydroquinolin-1(2H)-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 1111054
Azepan-1-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 1111056
[8-Amino-2-(5-methyl-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-yl-methanone
CID 9945155
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
CID 11952564

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).