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

C22H20N6O2 — CID 25326947

IUPAC5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1
InChIInChI=1S/C22H20N6O2/c29-21(24-11-8-16-4-1-2-10-23-16)17-14-26-28(20(17)15-6-7-15)22-25-12-9-18(27-22)19-5-3-13-30-19/h1-5,9-10,12-15H,6-8,11H2,(H,24,29)
InChIKeySJGHQHVRKPKFAA-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.17
Rot. Bonds7

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

5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 25326947) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID25326947
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1
InChIInChI=1S/C22H20N6O2/c29-21(24-11-8-16-4-1-2-10-23-16)17-14-26-28(20(17)15-6-7-15)22-25-12-9-18(27-22)19-5-3-13-30-19/h1-5,9-10,12-15H,6-8,11H2,(H,24,29)
InChIKeySJGHQHVRKPKFAA-UHFFFAOYSA-N
XLogP3.17
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 25
CID 11426423
6-Amino-N-benzyl-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 22015504
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
7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 46880424
7-(difluoromethyl)-N-(2-furylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1259765
7-(Furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476956

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 25326947) is 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is O=C(NCCc1ccccn1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is SJGHQHVRKPKFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-21(24-11-8-16-4-1-2-10-23-16)17-14-26-28(20(17)15-6-7-15)22-25-12-9-18(27-22)19-5-3-13-30-19/h1-5,9-10,12-15H,6-8,11H2,(H,24,29).
What are the key properties of 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25326947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).