5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine

C15H19ClN8 — CID 171107209

IUPAC5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine
SMILESCCNc1cc(Cl)nc2c1ncn2[C@H]1CC[C@@H](c2nnn(C)n2)C1
InChIInChI=1S/C15H19ClN8/c1-3-17-11-7-12(16)19-15-13(11)18-8-24(15)10-5-4-9(6-10)14-20-22-23(2)21-14/h7-10H,3-6H2,1-2H3,(H,17,19)/t9-,10+/m1/s1
InChIKeyAMACQFSTFRXPMJ-ZJUUUORDSA-N
MW346.83 g/mol
LogP2.55
Rot. Bonds4

About 5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine

5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine (PubChem CID 171107209) has the molecular formula C15H19ClN8 and a molecular weight of 346.83 g/mol. Its IUPAC name is 5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine
PubChem CID171107209
Molecular FormulaC15H19ClN8
Molecular Weight346.83 g/mol
Exact Mass346.14
IUPAC Name5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine
SMILESCCNc1cc(Cl)nc2c1ncn2[C@H]1CC[C@@H](c2nnn(C)n2)C1
InChIInChI=1S/C15H19ClN8/c1-3-17-11-7-12(16)19-15-13(11)18-8-24(15)10-5-4-9(6-10)14-20-22-23(2)21-14/h7-10H,3-6H2,1-2H3,(H,17,19)/t9-,10+/m1/s1
InChIKeyAMACQFSTFRXPMJ-ZJUUUORDSA-N
XLogP2.55
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine (CID 171107209) is 5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine is CCNc1cc(Cl)nc2c1ncn2[C@H]1CC[C@@H](c2nnn(C)n2)C1.
What is the InChIKey of 5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine?
The InChIKey is AMACQFSTFRXPMJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H19ClN8/c1-3-17-11-7-12(16)19-15-13(11)18-8-24(15)10-5-4-9(6-10)14-20-22-23(2)21-14/h7-10H,3-6H2,1-2H3,(H,17,19)/t9-,10+/m1/s1.
What are the key properties of 5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine?
5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine has a molecular weight of 346.83 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-3-[(1S,3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 171107209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).