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

C19H21N5O3 — CID 126785433

IUPAC4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESNC(=O)c1ncn2c(C(=O)NCCC3CCCC3)cc(-c3ccco3)nc12
InChIInChI=1S/C19H21N5O3/c20-17(25)16-18-23-13(15-6-3-9-27-15)10-14(24(18)11-22-16)19(26)21-8-7-12-4-1-2-5-12/h3,6,9-12H,1-2,4-5,7-8H2,(H2,20,25)(H,21,26)
InChIKeyQPUFBMDHFFEFGJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.40
Rot. Bonds6

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

4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 126785433) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID126785433
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESNC(=O)c1ncn2c(C(=O)NCCC3CCCC3)cc(-c3ccco3)nc12
InChIInChI=1S/C19H21N5O3/c20-17(25)16-18-23-13(15-6-3-9-27-15)10-14(24(18)11-22-16)19(26)21-8-7-12-4-1-2-5-12/h3,6,9-12H,1-2,4-5,7-8H2,(H2,20,25)(H,21,26)
InChIKeyQPUFBMDHFFEFGJ-UHFFFAOYSA-N
XLogP2.40
TPSA115.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
CID 119536122
4-N-[2-(ethylamino)ethyl]-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 119507404
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-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 167989679
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
4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25330819
4-N-butyl-4-N-ethyl-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 47024013
4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 119659611
2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24685185
2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631856
4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 167951948

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 126785433) is 4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is NC(=O)c1ncn2c(C(=O)NCCC3CCCC3)cc(-c3ccco3)nc12.
What is the InChIKey of 4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is QPUFBMDHFFEFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c20-17(25)16-18-23-13(15-6-3-9-27-15)10-14(24(18)11-22-16)19(26)21-8-7-12-4-1-2-5-12/h3,6,9-12H,1-2,4-5,7-8H2,(H2,20,25)(H,21,26).
What are the key properties of 4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopentylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 126785433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).