6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one

C25H25ClN6O4 — CID 3192149

IUPAC6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one
SMILESO=C(c1ccco1)N1CCN(C(c2coc3ccc(Cl)cc3c2=O)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C25H25ClN6O4/c26-16-7-8-20-18(14-16)23(33)19(15-36-20)22(24-27-28-29-32(24)17-4-1-2-5-17)30-9-11-31(12-10-30)25(34)21-6-3-13-35-21/h3,6-8,13-15,17,22H,1-2,4-5,9-12H2
InChIKeyAQDQCYJVHJPXLD-UHFFFAOYSA-N
MW508.97 g/mol
LogP3.69
Rot. Bonds5

About 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one

6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one (PubChem CID 3192149) has the molecular formula C25H25ClN6O4 and a molecular weight of 508.97 g/mol. Its IUPAC name is 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one
PubChem CID3192149
Molecular FormulaC25H25ClN6O4
Molecular Weight508.97 g/mol
Exact Mass508.16
IUPAC Name6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one
SMILESO=C(c1ccco1)N1CCN(C(c2coc3ccc(Cl)cc3c2=O)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C25H25ClN6O4/c26-16-7-8-20-18(14-16)23(33)19(15-36-20)22(24-27-28-29-32(24)17-4-1-2-5-17)30-9-11-31(12-10-30)25(34)21-6-3-13-35-21/h3,6-8,13-15,17,22H,1-2,4-5,9-12H2
InChIKeyAQDQCYJVHJPXLD-UHFFFAOYSA-N
XLogP3.69
TPSA110.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.97
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-methylchromen-4-one
CID 655580
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-methylchromen-4-one
CID 1431099
[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1442957
[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride
CID 53313729
3-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methylchromen-4-one
CID 3887184
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1156838
3-[(R)-(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1148203
3-[(1-cyclohexyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 3176634
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 649176
[4-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209704
[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 24792379
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one?
The IUPAC name of 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one (CID 3192149) is 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one.
What is the SMILES notation for 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one?
The canonical SMILES for 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one is O=C(c1ccco1)N1CCN(C(c2coc3ccc(Cl)cc3c2=O)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one?
The InChIKey is AQDQCYJVHJPXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O4/c26-16-7-8-20-18(14-16)23(33)19(15-36-20)22(24-27-28-29-32(24)17-4-1-2-5-17)30-9-11-31(12-10-30)25(34)21-6-3-13-35-21/h3,6-8,13-15,17,22H,1-2,4-5,9-12H2.
What are the key properties of 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one?
6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one has a molecular weight of 508.97 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one is sourced from PubChem (CID 3192149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).