7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C14H19N5O2 — CID 79095542

IUPAC7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cc(C(=O)N2CCN3C(=O)NCC3C2)n(C2CC2)c1
InChIInChI=1S/C14H19N5O2/c15-9-5-12(19(7-9)10-1-2-10)13(20)17-3-4-18-11(8-17)6-16-14(18)21/h5,7,10-11H,1-4,6,8,15H2,(H,16,21)
InChIKeyCARYNYSUIJEQKD-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.25
Rot. Bonds2

About 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095542) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095542
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cc(C(=O)N2CCN3C(=O)NCC3C2)n(C2CC2)c1
InChIInChI=1S/C14H19N5O2/c15-9-5-12(19(7-9)10-1-2-10)13(20)17-3-4-18-11(8-17)6-16-14(18)21/h5,7,10-11H,1-4,6,8,15H2,(H,16,21)
InChIKeyCARYNYSUIJEQKD-UHFFFAOYSA-N
XLogP0.25
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

Netropsin
CID 4461
1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3-dimethyl-
CID 206249
Anthelvencin A
CID 202542
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-1H-pyrrole-2-carboxamide
CID 25105709
Netropsin dihydrochloride
CID 5351456
1,3-Dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10376784
4-acetamido-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
CID 406398
Netropsin Hydrochloride
CID 149025
1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3,5-trimethyl-
CID 3043224
Kikumycin B
CID 135618191
Anthelvencin B
CID 14039041
3-Methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 10034949

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095542) is 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Nc1cc(C(=O)N2CCN3C(=O)NCC3C2)n(C2CC2)c1.
What is the InChIKey of 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is CARYNYSUIJEQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c15-9-5-12(19(7-9)10-1-2-10)13(20)17-3-4-18-11(8-17)6-16-14(18)21/h5,7,10-11H,1-4,6,8,15H2,(H,16,21).
What are the key properties of 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 289.34 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).