ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate

C17H21N5O3 — CID 70850542

IUPACethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(NC(=O)c2ccccn2)c2c1C(C)(C)N(C)C2
InChIInChI=1S/C17H21N5O3/c1-5-25-16(24)22-13-11(10-21(4)17(13,2)3)14(20-22)19-15(23)12-8-6-7-9-18-12/h6-9H,5,10H2,1-4H3,(H,19,20,23)
InChIKeyWAJMYWIYVQYGTG-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.22
Rot. Bonds3

About ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate

ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate (PubChem CID 70850542) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate
PubChem CID70850542
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Nameethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(NC(=O)c2ccccn2)c2c1C(C)(C)N(C)C2
InChIInChI=1S/C17H21N5O3/c1-5-25-16(24)22-13-11(10-21(4)17(13,2)3)14(20-22)19-15(23)12-8-6-7-9-18-12/h6-9H,5,10H2,1-4H3,(H,19,20,23)
InChIKeyWAJMYWIYVQYGTG-UHFFFAOYSA-N
XLogP2.22
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate with MolForge

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Related Compounds

5-O-tert-butyl 1-O-ethyl 6,6-dimethyl-3-[(3-nitrobenzoyl)amino]-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate
CID 121438506
1-ethyl-1-(pyridine-2-carbonylamino)thiourea
CID 22301171
ethyl pyridine-2-carboxylate
CID 17307
ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate
CID 11172995
N-[5-[(2S,5S)-2,5-dimethyl-4-propylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
CID 66738806
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate
CID 172551439
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
ethyl 2,5-dimethyl-1-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]pyrrole-3-carboxylate
CID 9033538
ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate
CID 56910971
ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate?
The IUPAC name of ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate (CID 70850542) is ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate.
What is the SMILES notation for ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate?
The canonical SMILES for ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate is CCOC(=O)n1nc(NC(=O)c2ccccn2)c2c1C(C)(C)N(C)C2.
What is the InChIKey of ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate?
The InChIKey is WAJMYWIYVQYGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-5-25-16(24)22-13-11(10-21(4)17(13,2)3)14(20-22)19-15(23)12-8-6-7-9-18-12/h6-9H,5,10H2,1-4H3,(H,19,20,23).
What are the key properties of ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate?
ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate has a molecular weight of 343.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,6-trimethyl-3-(pyridine-2-carbonylamino)-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate is sourced from PubChem (CID 70850542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).