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

C18H21ClN6O3 — CID 120554533

IUPAC2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12.Cl
InChIInChI=1S/C18H20N6O3.ClH/c1-10-8-20-5-4-11(10)23-18(26)13-7-12(14-3-2-6-27-14)22-17-15(16(19)25)21-9-24(13)17;/h2-3,6-7,9-11,20H,4-5,8H2,1H3,(H2,19,25)(H,23,26);1H
InChIKeyQTJBZVNMHNFXQZ-UHFFFAOYSA-N
MW404.86 g/mol
LogP1.24
Rot. Bonds4

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

2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride (PubChem CID 120554533) has the molecular formula C18H21ClN6O3 and a molecular weight of 404.86 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
PubChem CID120554533
Molecular FormulaC18H21ClN6O3
Molecular Weight404.86 g/mol
Exact Mass404.14
IUPAC Name2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12.Cl
InChIInChI=1S/C18H20N6O3.ClH/c1-10-8-20-5-4-11(10)23-18(26)13-7-12(14-3-2-6-27-14)22-17-15(16(19)25)21-9-24(13)17;/h2-3,6-7,9-11,20H,4-5,8H2,1H3,(H2,19,25)(H,23,26);1H
InChIKeyQTJBZVNMHNFXQZ-UHFFFAOYSA-N
XLogP1.24
TPSA127.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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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
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4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 119507404
2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120555681
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CID 167951948
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4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 47024013
4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 167989679
4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride?
The IUPAC name of 2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride (CID 120554533) is 2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride.
What is the SMILES notation for 2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride?
The canonical SMILES for 2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride is CC1CNCCC1NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12.Cl.
What is the InChIKey of 2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride?
The InChIKey is QTJBZVNMHNFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3.ClH/c1-10-8-20-5-4-11(10)23-18(26)13-7-12(14-3-2-6-27-14)22-17-15(16(19)25)21-9-24(13)17;/h2-3,6-7,9-11,20H,4-5,8H2,1H3,(H2,19,25)(H,23,26);1H.
What are the key properties of 2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride?
2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride has a molecular weight of 404.86 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride is sourced from PubChem (CID 120554533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).