benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium

C24H27N6O+ — CID 6985898

IUPACbenzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium
SMILESc1ccc(C[NH+](Cc2ccco2)[C@H](c2ccncc2)c2nnnn2C2CCCC2)cc1
InChIInChI=1S/C24H26N6O/c1-2-7-19(8-3-1)17-29(18-22-11-6-16-31-22)23(20-12-14-25-15-13-20)24-26-27-28-30(24)21-9-4-5-10-21/h1-3,6-8,11-16,21,23H,4-5,9-10,17-18H2/p+1/t23-/m1/s1
InChIKeyMVXUCLVJBZKIPM-HSZRJFAPSA-O
MW415.52 g/mol
LogP3.15
Rot. Bonds8

About benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium

benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium (PubChem CID 6985898) has the molecular formula C24H27N6O+ and a molecular weight of 415.52 g/mol. Its IUPAC name is benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Namebenzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium
PubChem CID6985898
Molecular FormulaC24H27N6O+
Molecular Weight415.52 g/mol
Exact Mass415.22
IUPAC Namebenzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium
SMILESc1ccc(C[NH+](Cc2ccco2)[C@H](c2ccncc2)c2nnnn2C2CCCC2)cc1
InChIInChI=1S/C24H26N6O/c1-2-7-19(8-3-1)17-29(18-22-11-6-16-31-22)23(20-12-14-25-15-13-20)24-26-27-28-30(24)21-9-4-5-10-21/h1-3,6-8,11-16,21,23H,4-5,9-10,17-18H2/p+1/t23-/m1/s1
InChIKeyMVXUCLVJBZKIPM-HSZRJFAPSA-O
XLogP3.15
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium?
The IUPAC name of benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium (CID 6985898) is benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium.
What is the SMILES notation for benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium?
The canonical SMILES for benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium is c1ccc(C[NH+](Cc2ccco2)[C@H](c2ccncc2)c2nnnn2C2CCCC2)cc1.
What is the InChIKey of benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium?
The InChIKey is MVXUCLVJBZKIPM-HSZRJFAPSA-O. The full InChI is InChI=1S/C24H26N6O/c1-2-7-19(8-3-1)17-29(18-22-11-6-16-31-22)23(20-12-14-25-15-13-20)24-26-27-28-30(24)21-9-4-5-10-21/h1-3,6-8,11-16,21,23H,4-5,9-10,17-18H2/p+1/t23-/m1/s1.
What are the key properties of benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium?
benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium has a molecular weight of 415.52 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 6985898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).