[3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

C22H32N8O3S — CID 167293789

IUPAC[3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILES[H]N=S(=O)(CC)Cc1cc2c(Nc3cc(C4CCC(OC(=O)NC(C)(C)C)C4)[nH]n3)nccn2n1
InChIInChI=1S/C22H32N8O3S/c1-5-34(23,32)13-15-11-18-20(24-8-9-30(18)29-15)25-19-12-17(27-28-19)14-6-7-16(10-14)33-21(31)26-22(2,3)4/h8-9,11-12,14,16,23H,5-7,10,13H2,1-4H3,(H,26,31)(H2,24,25,27,28)
InChIKeyNZNQBZKGJFDPRX-UHFFFAOYSA-N
MW488.62 g/mol
LogP3.92
Rot. Bonds7

About [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

[3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (PubChem CID 167293789) has the molecular formula C22H32N8O3S and a molecular weight of 488.62 g/mol. Its IUPAC name is [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
PubChem CID167293789
Molecular FormulaC22H32N8O3S
Molecular Weight488.62 g/mol
Exact Mass488.23
IUPAC Name[3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILES[H]N=S(=O)(CC)Cc1cc2c(Nc3cc(C4CCC(OC(=O)NC(C)(C)C)C4)[nH]n3)nccn2n1
InChIInChI=1S/C22H32N8O3S/c1-5-34(23,32)13-15-11-18-20(24-8-9-30(18)29-15)25-19-12-17(27-28-19)14-6-7-16(10-14)33-21(31)26-22(2,3)4/h8-9,11-12,14,16,23H,5-7,10,13H2,1-4H3,(H,26,31)(H2,24,25,27,28)
InChIKeyNZNQBZKGJFDPRX-UHFFFAOYSA-N
XLogP3.92
TPSA150.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate 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

[(1R,3S)-3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 167293866
[3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293693
[3-[3-[[2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293924
[3-[3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293698
[3-[3-[[2-[(methylsulfinimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293814
[(1R,3S)-3-[3-[[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 167293864
[3-[3-[[2-[(4-methylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293707
[(1R,3S)-3-[3-[[2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167294495
[(1R,3S)-3-[3-[(2-ethoxypyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293954
[(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 164880074
[(1R,3S)-3-[3-[[2-[(1S)-1-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 167293874
[(1R,3S)-3-[3-[[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293718

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The IUPAC name of [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (CID 167293789) is [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The canonical SMILES for [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is [H]N=S(=O)(CC)Cc1cc2c(Nc3cc(C4CCC(OC(=O)NC(C)(C)C)C4)[nH]n3)nccn2n1.
What is the InChIKey of [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The InChIKey is NZNQBZKGJFDPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N8O3S/c1-5-34(23,32)13-15-11-18-20(24-8-9-30(18)29-15)25-19-12-17(27-28-19)14-6-7-16(10-14)33-21(31)26-22(2,3)4/h8-9,11-12,14,16,23H,5-7,10,13H2,1-4H3,(H,26,31)(H2,24,25,27,28).
What are the key properties of [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
[3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate has a molecular weight of 488.62 g/mol, XLogP of 3.92, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[2-[(ethylsulfonimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is sourced from PubChem (CID 167293789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).