[(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate

C21H33N5O4 — CID 162369173

IUPAC[(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCOc1ccc(CC(=O)NC2CC([C@H]3CC[C@@H](OC(=O)NC(C)(C)C)C3)NN2)cn1
InChIInChI=1S/C21H33N5O4/c1-21(2,3)24-20(28)30-15-7-6-14(10-15)16-11-17(26-25-16)23-18(27)9-13-5-8-19(29-4)22-12-13/h5,8,12,14-17,25-26H,6-7,9-11H2,1-4H3,(H,23,27)(H,24,28)/t14-,15+,16?,17?/m0/s1
InChIKeyODYKTGJOWYSGPM-NJINODPHSA-N
MW419.53 g/mol
LogP1.63
Rot. Bonds6

About [(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate

[(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate (PubChem CID 162369173) has the molecular formula C21H33N5O4 and a molecular weight of 419.53 g/mol. Its IUPAC name is [(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate
PubChem CID162369173
Molecular FormulaC21H33N5O4
Molecular Weight419.53 g/mol
Exact Mass419.25
IUPAC Name[(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCOc1ccc(CC(=O)NC2CC([C@H]3CC[C@@H](OC(=O)NC(C)(C)C)C3)NN2)cn1
InChIInChI=1S/C21H33N5O4/c1-21(2,3)24-20(28)30-15-7-6-14(10-15)16-11-17(26-25-16)23-18(27)9-13-5-8-19(29-4)22-12-13/h5,8,12,14-17,25-26H,6-7,9-11H2,1-4H3,(H,23,27)(H,24,28)/t14-,15+,16?,17?/m0/s1
InChIKeyODYKTGJOWYSGPM-NJINODPHSA-N
XLogP1.63
TPSA113.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] 2-methylazetidine-1-carboxylate
CID 162369188
[(1S,3R)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate
CID 162369185
[(1R,3S)-3-[5-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate
CID 162369280
[(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-[[2-(5-methoxypyrazin-2-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-ethylcyclopropyl)carbamate
CID 162369342
[(1S,3R)-3-[5-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propylcarbamate
CID 162369134
[(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-[5-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 162369262
[(1R,3S)-3-[5-[[2-[4-(difluoromethyl)-2-pyridinyl]acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 162369336
[3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025557
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
[(1S,3R)-3-[5-[[2-(3,5-difluorophenyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(oxan-3-ylmethyl)carbamate
CID 162369364

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate?
The IUPAC name of [(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate (CID 162369173) is [(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate is COc1ccc(CC(=O)NC2CC([C@H]3CC[C@@H](OC(=O)NC(C)(C)C)C3)NN2)cn1.
What is the InChIKey of [(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate?
The InChIKey is ODYKTGJOWYSGPM-NJINODPHSA-N. The full InChI is InChI=1S/C21H33N5O4/c1-21(2,3)24-20(28)30-15-7-6-14(10-15)16-11-17(26-25-16)23-18(27)9-13-5-8-19(29-4)22-12-13/h5,8,12,14-17,25-26H,6-7,9-11H2,1-4H3,(H,23,27)(H,24,28)/t14-,15+,16?,17?/m0/s1.
What are the key properties of [(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate?
[(1R,3S)-3-[5-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate has a molecular weight of 419.53 g/mol, XLogP of 1.63, 6 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-(6-methoxy-3-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-tert-butylcarbamate is sourced from PubChem (CID 162369173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).