[3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

C20H26FN5O3 — CID 155025584

IUPAC[3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCC(c2cc(NC(=O)Cc3ncccc3F)n[nH]2)C1
InChIInChI=1S/C20H26FN5O3/c1-20(2,3)24-19(28)29-13-7-6-12(9-13)15-10-17(26-25-15)23-18(27)11-16-14(21)5-4-8-22-16/h4-5,8,10,12-13H,6-7,9,11H2,1-3H3,(H,24,28)(H2,23,25,26,27)
InChIKeyJZEKPSMXAHFHJN-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.29
Rot. Bonds5

About [3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

[3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (PubChem CID 155025584) has the molecular formula C20H26FN5O3 and a molecular weight of 403.46 g/mol. Its IUPAC name is [3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
PubChem CID155025584
Molecular FormulaC20H26FN5O3
Molecular Weight403.46 g/mol
Exact Mass403.20
IUPAC Name[3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCC(c2cc(NC(=O)Cc3ncccc3F)n[nH]2)C1
InChIInChI=1S/C20H26FN5O3/c1-20(2,3)24-19(28)29-13-7-6-12(9-13)15-10-17(26-25-15)23-18(27)11-16-14(21)5-4-8-22-16/h4-5,8,10,12-13H,6-7,9,11H2,1-3H3,(H,24,28)(H2,23,25,26,27)
InChIKeyJZEKPSMXAHFHJN-UHFFFAOYSA-N
XLogP3.29
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The IUPAC name of [3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (CID 155025584) is [3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The canonical SMILES for [3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCC(c2cc(NC(=O)Cc3ncccc3F)n[nH]2)C1.
What is the InChIKey of [3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The InChIKey is JZEKPSMXAHFHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O3/c1-20(2,3)24-19(28)29-13-7-6-12(9-13)15-10-17(26-25-15)23-18(27)11-16-14(21)5-4-8-22-16/h4-5,8,10,12-13H,6-7,9,11H2,1-3H3,(H,24,28)(H2,23,25,26,27).
What are the key properties of [3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
[3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate has a molecular weight of 403.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is sourced from PubChem (CID 155025584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).