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

C23H35N5O5 — CID 162369381

IUPAC[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate
SMILESCOc1ccc(CC(=O)NC2CC([C@@H]3CC[C@H](OC(=O)NC4CCC(O)CC4)C3)NN2)nc1
InChIInChI=1S/C23H35N5O5/c1-32-19-9-5-16(24-13-19)11-22(30)26-21-12-20(27-28-21)14-2-8-18(10-14)33-23(31)25-15-3-6-17(29)7-4-15/h5,9,13-15,17-18,20-21,27-29H,2-4,6-8,10-12H2,1H3,(H,25,31)(H,26,30)/t14-,15?,17?,18+,20?,21?/m1/s1
InChIKeyYKIHQNZJISRCAM-XQSXRLBMSA-N
MW461.56 g/mol
LogP1.14
Rot. Bonds7

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

[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate (PubChem CID 162369381) has the molecular formula C23H35N5O5 and a molecular weight of 461.56 g/mol. Its IUPAC name is [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate
PubChem CID162369381
Molecular FormulaC23H35N5O5
Molecular Weight461.56 g/mol
Exact Mass461.26
IUPAC Name[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate
SMILESCOc1ccc(CC(=O)NC2CC([C@@H]3CC[C@H](OC(=O)NC4CCC(O)CC4)C3)NN2)nc1
InChIInChI=1S/C23H35N5O5/c1-32-19-9-5-16(24-13-19)11-22(30)26-21-12-20(27-28-21)14-2-8-18(10-14)33-23(31)25-15-3-6-17(29)7-4-15/h5,9,13-15,17-18,20-21,27-29H,2-4,6-8,10-12H2,1H3,(H,25,31)(H,26,30)/t14-,15?,17?,18+,20?,21?/m1/s1
InChIKeyYKIHQNZJISRCAM-XQSXRLBMSA-N
XLogP1.14
TPSA133.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 51.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate?
The IUPAC name of [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate (CID 162369381) is [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate.
What is the SMILES notation for [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate?
The canonical SMILES for [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate is COc1ccc(CC(=O)NC2CC([C@@H]3CC[C@H](OC(=O)NC4CCC(O)CC4)C3)NN2)nc1.
What is the InChIKey of [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate?
The InChIKey is YKIHQNZJISRCAM-XQSXRLBMSA-N. The full InChI is InChI=1S/C23H35N5O5/c1-32-19-9-5-16(24-13-19)11-22(30)26-21-12-20(27-28-21)14-2-8-18(10-14)33-23(31)25-15-3-6-17(29)7-4-15/h5,9,13-15,17-18,20-21,27-29H,2-4,6-8,10-12H2,1H3,(H,25,31)(H,26,30)/t14-,15?,17?,18+,20?,21?/m1/s1.
What are the key properties of [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate?
[(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate has a molecular weight of 461.56 g/mol, XLogP of 1.14, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(4-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 162369381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).