5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine

C14H15Cl2N7 — CID 171107318

IUPAC5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine
SMILESCc1c(Cl)nc2c(ncn2C2CCC(c3nnn(C)n3)C2)c1Cl
InChIInChI=1S/C14H15Cl2N7/c1-7-10(15)11-14(18-12(7)16)23(6-17-11)9-4-3-8(5-9)13-19-21-22(2)20-13/h6,8-9H,3-5H2,1-2H3
InChIKeyPWAHQGCGZDDYSE-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.08
Rot. Bonds2

About 5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine

5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine (PubChem CID 171107318) has the molecular formula C14H15Cl2N7 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine
PubChem CID171107318
Molecular FormulaC14H15Cl2N7
Molecular Weight352.23 g/mol
Exact Mass351.08
IUPAC Name5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine
SMILESCc1c(Cl)nc2c(ncn2C2CCC(c3nnn(C)n3)C2)c1Cl
InChIInChI=1S/C14H15Cl2N7/c1-7-10(15)11-14(18-12(7)16)23(6-17-11)9-4-3-8(5-9)13-19-21-22(2)20-13/h6,8-9H,3-5H2,1-2H3
InChIKeyPWAHQGCGZDDYSE-UHFFFAOYSA-N
XLogP3.08
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine
CID 171107209
5-chloro-N-ethyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine
CID 171107344
[8-chloro-5-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-11-yl]methanol
CID 171107081
8-chloro-11-(difluoromethyl)-5-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene;ethane
CID 171107099
N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine
CID 171107369
(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde
CID 171107161
(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol
CID 171107204
3-(4,6-dichloro-5-methylpyrimidin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 112680582
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
3-(2-methyltetrazol-5-yl)cyclobutan-1-ol
CID 177227904
cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane
CID 162735505
cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine
CID 178035519

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine?
The IUPAC name of 5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine (CID 171107318) is 5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine is Cc1c(Cl)nc2c(ncn2C2CCC(c3nnn(C)n3)C2)c1Cl.
What is the InChIKey of 5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine?
The InChIKey is PWAHQGCGZDDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N7/c1-7-10(15)11-14(18-12(7)16)23(6-17-11)9-4-3-8(5-9)13-19-21-22(2)20-13/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine?
5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine has a molecular weight of 352.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 171107318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).