[(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate

C20H29F3N6O3 — CID 162369160

IUPAC[(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate
SMILESCc1cnc(CC(=O)NC2CC([C@H]3CC[C@@H](OC(=O)NC(C)CC(F)(F)F)C3)NN2)cn1
InChIInChI=1S/C20H29F3N6O3/c1-11(8-20(21,22)23)26-19(31)32-15-4-3-13(5-15)16-7-17(29-28-16)27-18(30)6-14-10-24-12(2)9-25-14/h9-11,13,15-17,28-29H,3-8H2,1-2H3,(H,26,31)(H,27,30)/t11?,13-,15+,16?,17?/m0/s1
InChIKeyRNGGGWXDDLVQST-TXHREDDESA-N
MW458.49 g/mol
LogP1.87
Rot. Bonds7

About [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate

[(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate (PubChem CID 162369160) has the molecular formula C20H29F3N6O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate
PubChem CID162369160
Molecular FormulaC20H29F3N6O3
Molecular Weight458.49 g/mol
Exact Mass458.23
IUPAC Name[(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate
SMILESCc1cnc(CC(=O)NC2CC([C@H]3CC[C@@H](OC(=O)NC(C)CC(F)(F)F)C3)NN2)cn1
InChIInChI=1S/C20H29F3N6O3/c1-11(8-20(21,22)23)26-19(31)32-15-4-3-13(5-15)16-7-17(29-28-16)27-18(30)6-14-10-24-12(2)9-25-14/h9-11,13,15-17,28-29H,3-8H2,1-2H3,(H,26,31)(H,27,30)/t11?,13-,15+,16?,17?/m0/s1
InChIKeyRNGGGWXDDLVQST-TXHREDDESA-N
XLogP1.87
TPSA117.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate 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-[5-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(3,3-difluorobutan-2-yl)carbamate
CID 162369313
[(1R,3S)-3-[5-[(6-methylpyridine-3-carbonyl)amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 162369284
[(1R,3S)-3-[5-[[2-(5-methoxypyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-ethylcyclopropyl)carbamate
CID 162369342
[(1R,3S)-3-[5-[[2-(2-ethylsulfonylphenyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 162369142
[(1R,3S)-3-[5-[[2-[4-(difluoromethyl)-2-pyridinyl]acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 162369336
[(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate
CID 162369173
[(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 162369332
[(1R,3S)-3-[5-[[2-(5-methoxy-2-methylsulfonylphenyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 162369151
[(1R,3S)-3-[3-[[2-[5-(trifluoromethyl)pyrazin-2-yl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate
CID 154616614
[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2R)-4,4,4-trifluorobutan-2-yl]carbamate
CID 154616540
[(1S,3R)-3-[5-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate
CID 162369134
[(1R,3S)-3-[2-(2-fluoro-4-methylanilino)pyrimidin-5-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate
CID 171087648

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate?
The IUPAC name of [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate (CID 162369160) is [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate.
What is the SMILES notation for [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate?
The canonical SMILES for [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate is Cc1cnc(CC(=O)NC2CC([C@H]3CC[C@@H](OC(=O)NC(C)CC(F)(F)F)C3)NN2)cn1.
What is the InChIKey of [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate?
The InChIKey is RNGGGWXDDLVQST-TXHREDDESA-N. The full InChI is InChI=1S/C20H29F3N6O3/c1-11(8-20(21,22)23)26-19(31)32-15-4-3-13(5-15)16-7-17(29-28-16)27-18(30)6-14-10-24-12(2)9-25-14/h9-11,13,15-17,28-29H,3-8H2,1-2H3,(H,26,31)(H,27,30)/t11?,13-,15+,16?,17?/m0/s1.
What are the key properties of [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate?
[(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate has a molecular weight of 458.49 g/mol, XLogP of 1.87, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[5-[[2-(5-methylpyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate is sourced from PubChem (CID 162369160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).