[(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate

C24H31N5O4 — CID 171719030

IUPAC[(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate
SMILESC[C@H]1CC[C@H](C)N1C(=O)O[C@H]1CO[C@@H](c2cc(Nc3ccc4c(c3)C(C)(C)NC4=O)n[nH]2)C1
InChIInChI=1S/C24H31N5O4/c1-13-5-6-14(2)29(13)23(31)33-16-10-20(32-12-16)19-11-21(28-27-19)25-15-7-8-17-18(9-15)24(3,4)26-22(17)30/h7-9,11,13-14,16,20H,5-6,10,12H2,1-4H3,(H,26,30)(H2,25,27,28)/t13-,14-,16+,20+/m0/s1
InChIKeyNMULGTCQQXVMKO-LPRVAIFDSA-N
MW453.54 g/mol
LogP3.97
Rot. Bonds4

About [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate

[(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate (PubChem CID 171719030) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate
PubChem CID171719030
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name[(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate
SMILESC[C@H]1CC[C@H](C)N1C(=O)O[C@H]1CO[C@@H](c2cc(Nc3ccc4c(c3)C(C)(C)NC4=O)n[nH]2)C1
InChIInChI=1S/C24H31N5O4/c1-13-5-6-14(2)29(13)23(31)33-16-10-20(32-12-16)19-11-21(28-27-19)25-15-7-8-17-18(9-15)24(3,4)26-22(17)30/h7-9,11,13-14,16,20H,5-6,10,12H2,1-4H3,(H,26,30)(H2,25,27,28)/t13-,14-,16+,20+/m0/s1
InChIKeyNMULGTCQQXVMKO-LPRVAIFDSA-N
XLogP3.97
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate with MolForge

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Related Compounds

[5-[3-[(7,7-dimethyl-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 164880207
[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879613
[5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141013
[(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141945
[(3S,5S)-5-[3-[[(3R)-3-anilinopyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169142792
[(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 170106279
[(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate
CID 170071001
[(3R,5R)-5-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamate
CID 170071239
[(3S,5S)-5-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170070922
[(3S,5S)-5-[3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170070997
[(3R,5R)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(3-methyloxetan-3-yl)carbamate
CID 170075803
[(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate
CID 170071305

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate (CID 171719030) is [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate is C[C@H]1CC[C@H](C)N1C(=O)O[C@H]1CO[C@@H](c2cc(Nc3ccc4c(c3)C(C)(C)NC4=O)n[nH]2)C1.
What is the InChIKey of [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate?
The InChIKey is NMULGTCQQXVMKO-LPRVAIFDSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-13-5-6-14(2)29(13)23(31)33-16-10-20(32-12-16)19-11-21(28-27-19)25-15-7-8-17-18(9-15)24(3,4)26-22(17)30/h7-9,11,13-14,16,20H,5-6,10,12H2,1-4H3,(H,26,30)(H2,25,27,28)/t13-,14-,16+,20+/m0/s1.
What are the key properties of [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate?
[(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-[3-[(3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 171719030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).