2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile

C22H24N8 — CID 170428762

IUPAC2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cc3n(n2)CC[C@@]32CCN([C@@H](c3ncc[nH]3)C3CC3)C2)cnc1N
InChIInChI=1S/C22H24N8/c23-11-15-9-16(12-27-20(15)24)17-10-18-22(4-8-30(18)28-17)3-7-29(13-22)19(14-1-2-14)21-25-5-6-26-21/h5-6,9-10,12,14,19H,1-4,7-8,13H2,(H2,24,27)(H,25,26)/t19-,22-/m1/s1
InChIKeyPFESKBBLEUBJJJ-DENIHFKCSA-N
MW400.49 g/mol
LogP2.62
Rot. Bonds4

About 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile

2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile (PubChem CID 170428762) has the molecular formula C22H24N8 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile
PubChem CID170428762
Molecular FormulaC22H24N8
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cc3n(n2)CC[C@@]32CCN([C@@H](c3ncc[nH]3)C3CC3)C2)cnc1N
InChIInChI=1S/C22H24N8/c23-11-15-9-16(12-27-20(15)24)17-10-18-22(4-8-30(18)28-17)3-7-29(13-22)19(14-1-2-14)21-25-5-6-26-21/h5-6,9-10,12,14,19H,1-4,7-8,13H2,(H2,24,27)(H,25,26)/t19-,22-/m1/s1
InChIKeyPFESKBBLEUBJJJ-DENIHFKCSA-N
XLogP2.62
TPSA112.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4R)-1'-[cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyrazin-2-amine
CID 164859409
tert-butyl 2-(6-amino-5-cyano-3-pyridinyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxylate
CID 164859433
5-[(4R)-1'-[cyclopropyl(1H-1,2,4-triazol-5-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]-3-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyridin-2-amine
CID 164859681
2-(6-amino-5-cyano-3-pyridinyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 170429553
2-(6-amino-5-cyano-3-pyridinyl)-N-[(1R)-1-(4-cyano-2-pyridinyl)ethyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164859567
2-(6-amino-5-cyano-3-pyridinyl)-N-[(1S)-1-(3-chloro-4-pyridinyl)ethyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164858887
2-(6-amino-5-cyano-3-pyridinyl)-N-(1-pyridin-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164858725
2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile
CID 164859214
5-[1'-[1-(1H-imidazol-2-yl)propyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 170428760
2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164859354
[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone
CID 164859950
5-[(4R)-1'-[1-(1H-imidazol-2-yl)-2-methylpropyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 164859754

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile (CID 170428762) is 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile is N#Cc1cc(-c2cc3n(n2)CC[C@@]32CCN([C@@H](c3ncc[nH]3)C3CC3)C2)cnc1N.
What is the InChIKey of 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile?
The InChIKey is PFESKBBLEUBJJJ-DENIHFKCSA-N. The full InChI is InChI=1S/C22H24N8/c23-11-15-9-16(12-27-20(15)24)17-10-18-22(4-8-30(18)28-17)3-7-29(13-22)19(14-1-2-14)21-25-5-6-26-21/h5-6,9-10,12,14,19H,1-4,7-8,13H2,(H2,24,27)(H,25,26)/t19-,22-/m1/s1.
What are the key properties of 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile?
2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile has a molecular weight of 400.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4R)-1'-[(R)-cyclopropyl(1H-imidazol-2-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 170428762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).