[(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C21H30ClN5O3 — CID 162369332

About [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 162369332) has the molecular formula C21H30ClN5O3 and a molecular weight of 435.96 g/mol. Its IUPAC name is [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 162369332
• Molecular Formula: C21H30ClN5O3
• Molecular Weight: 435.96 g/mol
• Exact Mass: 435.20
• IUPAC Name: [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• SMILES: Cc1cc(Cl)cnc1CC(=O)NC1CC([C@H]2CC[C@@H](OC(=O)NC3(C)CC3)C2)NN1
• InChI: InChI=1S/C21H30ClN5O3/c1-12-7-14(22)11-23-16(12)10-19(28)24-18-9-17(26-27-18)13-3-4-15(8-13)30-20(29)25-21(2)5-6-21/h7,11,13,15,17-18,26-27H,3-6,8-10H2,1-2H3,(H,24,28)(H,25,29)/t13-,15+,17?,18?/m0/s1
• InChIKey: NZRISKLMUPALGI-AQBGXTHVSA-N
• XLogP: 2.34
• TPSA: 104.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.96
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 162369332) is [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is Cc1cc(Cl)cnc1CC(=O)NC1CC([C@H]2CC[C@@H](OC(=O)NC3(C)CC3)C2)NN1.

What is the InChIKey of [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is NZRISKLMUPALGI-AQBGXTHVSA-N. The full InChI is InChI=1S/C21H30ClN5O3/c1-12-7-14(22)11-23-16(12)10-19(28)24-18-9-17(26-27-18)13-3-4-15(8-13)30-20(29)25-21(2)5-6-21/h7,11,13,15,17-18,26-27H,3-6,8-10H2,1-2H3,(H,24,28)(H,25,29)/t13-,15+,17?,18?/m0/s1.

What are the key properties of [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

[(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 435.96 g/mol, XLogP of 2.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S)-3-[5-[[2-(5-chloro-3-methyl-2-pyridinyl)acetyl]amino]pyrazolidin-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 162369332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).