4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide

C18H20N6O3 — CID 167951948

IUPAC4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
SMILESCC1NCCCC1NC(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1
InChIInChI=1S/C18H20N6O3/c1-10-11(4-2-6-20-10)23-18(26)12-8-13(14-5-3-7-27-14)24-9-21-15(16(19)25)17(24)22-12/h3,5,7-11,20H,2,4,6H2,1H3,(H2,19,25)(H,23,26)
InChIKeyPFEIVFADLFLJTK-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.96
Rot. Bonds4

About 4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide

4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide (PubChem CID 167951948) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
PubChem CID167951948
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
SMILESCC1NCCCC1NC(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1
InChIInChI=1S/C18H20N6O3/c1-10-11(4-2-6-20-10)23-18(26)12-8-13(14-5-3-7-27-14)24-9-21-15(16(19)25)17(24)22-12/h3,5,7-11,20H,2,4,6H2,1H3,(H2,19,25)(H,23,26)
InChIKeyPFEIVFADLFLJTK-UHFFFAOYSA-N
XLogP0.96
TPSA127.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 167989679
2-(2,5-dimethylmorpholine-4-carbonyl)-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 155967660
2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
CID 120554533
2-N-[2-(3-ethoxycyclobutyl)ethyl]-4-(furan-2-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 155967598
3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide
CID 120577727
2-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120577393
3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 120576442
4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 126785433
4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
CID 119590813
4-(furan-2-yl)-2-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 155967587
4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 119507404
1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride
CID 120577098

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The IUPAC name of 4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide (CID 167951948) is 4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide.
What is the SMILES notation for 4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The canonical SMILES for 4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide is CC1NCCCC1NC(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1.
What is the InChIKey of 4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The InChIKey is PFEIVFADLFLJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-10-11(4-2-6-20-10)23-18(26)12-8-13(14-5-3-7-27-14)24-9-21-15(16(19)25)17(24)22-12/h3,5,7-11,20H,2,4,6H2,1H3,(H2,19,25)(H,23,26).
What are the key properties of 4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide has a molecular weight of 368.40 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide is sourced from PubChem (CID 167951948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).