2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid

C18H22N6O3 — CID 175779917

IUPAC2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid
SMILESCCNC(=O)N1CC[C@@]2(CCn3nc(-c4cnc(N)c(C(=O)O)c4)cc32)C1
InChIInChI=1S/C18H22N6O3/c1-2-20-17(27)23-5-3-18(10-23)4-6-24-14(18)8-13(22-24)11-7-12(16(25)26)15(19)21-9-11/h7-9H,2-6,10H2,1H3,(H2,19,21)(H,20,27)(H,25,26)/t18-/m1/s1
InChIKeyOEMWNZMEERIMIW-GOSISDBHSA-N
MW370.41 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid

2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid (PubChem CID 175779917) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid
PubChem CID175779917
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid
SMILESCCNC(=O)N1CC[C@@]2(CCn3nc(-c4cnc(N)c(C(=O)O)c4)cc32)C1
InChIInChI=1S/C18H22N6O3/c1-2-20-17(27)23-5-3-18(10-23)4-6-24-14(18)8-13(22-24)11-7-12(16(25)26)15(19)21-9-11/h7-9H,2-6,10H2,1H3,(H2,19,21)(H,20,27)(H,25,26)/t18-/m1/s1
InChIKeyOEMWNZMEERIMIW-GOSISDBHSA-N
XLogP1.30
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid (CID 175779917) is 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid is CCNC(=O)N1CC[C@@]2(CCn3nc(-c4cnc(N)c(C(=O)O)c4)cc32)C1.
What is the InChIKey of 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid?
The InChIKey is OEMWNZMEERIMIW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-2-20-17(27)23-5-3-18(10-23)4-6-24-14(18)8-13(22-24)11-7-12(16(25)26)15(19)21-9-11/h7-9H,2-6,10H2,1H3,(H2,19,21)(H,20,27)(H,25,26)/t18-/m1/s1.
What are the key properties of 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid?
2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 175779917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).