5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile

C19H21N9 — CID 143911902

IUPAC5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile
SMILES[H]/N=C(\C1CC(Nc2cnc(C#N)cn2)CC1CC)n1/c(=N/[H])cnc2[nH]ccc21
InChIInChI=1S/C19H21N9/c1-2-11-5-12(27-17-10-24-13(7-20)8-25-17)6-14(11)18(22)28-15-3-4-23-19(15)26-9-16(28)21/h3-4,8-12,14,21-23H,2,5-6H2,1H3,(H,25,27)/b21-16+,22-18+
InChIKeyGWZLDLQNEYUBCB-HFXUAKQVSA-N
MW375.44 g/mol
LogP2.25
Rot. Bonds4

About 5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile

5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile (PubChem CID 143911902) has the molecular formula C19H21N9 and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile
PubChem CID143911902
Molecular FormulaC19H21N9
Molecular Weight375.44 g/mol
Exact Mass375.19
IUPAC Name5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile
SMILES[H]/N=C(\C1CC(Nc2cnc(C#N)cn2)CC1CC)n1/c(=N/[H])cnc2[nH]ccc21
InChIInChI=1S/C19H21N9/c1-2-11-5-12(27-17-10-24-13(7-20)8-25-17)6-14(11)18(22)28-15-3-4-23-19(15)26-9-16(28)21/h3-4,8-12,14,21-23H,2,5-6H2,1H3,(H,25,27)/b21-16+,22-18+
InChIKeyGWZLDLQNEYUBCB-HFXUAKQVSA-N
XLogP2.25
TPSA142.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile
CID 166967953
5-[[(1R,3S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]amino]pyrazine-2-carbonitrile;5-[[(1S,3R,4S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]amino]pyrazine-2-carbonitrile
CID 158359538
ethyl 2-[(1S,3R,4S)-3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]acetate
CID 137213435
N-(2-cyanoethyl)-N-[(1S,3R,4S)-3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]cyclopropanesulfonamide
CID 137213423
cis-(1S,3R)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentan-1-amine
CID 137108888
1-[(3S,4R)-1-benzyl-4-propan-2-ylpyrrolidine-3-carboximidoyl]-5H-pyrrolo[2,3-b]pyrazin-2-imine
CID 166967993
5-[[(1S,3R,4S)-3-ethyl-4-[8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]amino]pyrazine-2-carbonitrile
CID 156769541
5-[[3-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]amino]pyrazine-2-carbonitrile
CID 137154233
3-[3-[1-(2-imino-5H-pyrrolo[2,3-b]pyrazin-1-yl)ethenyl]-5-methylpiperidin-1-yl]-3-oxopropanenitrile
CID 143912083
5-[2-[(1R,3S,4R)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]ethoxy]pyrazine-2-carbonitrile
CID 137466117
4-[(1R,3R,4S)-3-ethyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]oxybenzonitrile
CID 58557644
propan-2-yl N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]carbamate
CID 137143300

Frequently Asked Questions

What is the IUPAC name of 5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile (CID 143911902) is 5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile is [H]/N=C(\C1CC(Nc2cnc(C#N)cn2)CC1CC)n1/c(=N/[H])cnc2[nH]ccc21.
What is the InChIKey of 5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile?
The InChIKey is GWZLDLQNEYUBCB-HFXUAKQVSA-N. The full InChI is InChI=1S/C19H21N9/c1-2-11-5-12(27-17-10-24-13(7-20)8-25-17)6-14(11)18(22)28-15-3-4-23-19(15)26-9-16(28)21/h3-4,8-12,14,21-23H,2,5-6H2,1H3,(H,25,27)/b21-16+,22-18+.
What are the key properties of 5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile?
5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile has a molecular weight of 375.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 143911902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).