[4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone

C21H25N7O2 — CID 653481

IUPAC[4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(c2ccccn2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C21H25N7O2/c29-21(18-9-5-15-30-18)27-13-11-26(12-14-27)19(17-8-3-4-10-22-17)20-23-24-25-28(20)16-6-1-2-7-16/h3-5,8-10,15-16,19H,1-2,6-7,11-14H2
InChIKeyLYGKDCOPVCZODE-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.32
Rot. Bonds5

About [4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 653481) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is [4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID653481
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name[4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(c2ccccn2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C21H25N7O2/c29-21(18-9-5-15-30-18)27-13-11-26(12-14-27)19(17-8-3-4-10-22-17)20-23-24-25-28(20)16-6-1-2-7-16/h3-5,8-10,15-16,19H,1-2,6-7,11-14H2
InChIKeyLYGKDCOPVCZODE-UHFFFAOYSA-N
XLogP2.32
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 653481) is [4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C(c2ccccn2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of [4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LYGKDCOPVCZODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c29-21(18-9-5-15-30-18)27-13-11-26(12-14-27)19(17-8-3-4-10-22-17)20-23-24-25-28(20)16-6-1-2-7-16/h3-5,8-10,15-16,19H,1-2,6-7,11-14H2.
What are the key properties of [4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 407.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 653481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).