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

C16H22N8 — CID 171107369

IUPACN-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine
SMILESCCNc1cc(C)nc2c1ncn2C1CC[C@@H](c2nnn(C)n2)C1
InChIInChI=1S/C16H22N8/c1-4-17-13-7-10(2)19-16-14(13)18-9-24(16)12-6-5-11(8-12)15-20-22-23(3)21-15/h7,9,11-12H,4-6,8H2,1-3H3,(H,17,19)/t11-,12?/m1/s1
InChIKeyZOFSYAOGHURAQR-JHJMLUEUSA-N
MW326.41 g/mol
LogP2.20
Rot. Bonds4

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

N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine (PubChem CID 171107369) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine
PubChem CID171107369
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC NameN-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine
SMILESCCNc1cc(C)nc2c1ncn2C1CC[C@@H](c2nnn(C)n2)C1
InChIInChI=1S/C16H22N8/c1-4-17-13-7-10(2)19-16-14(13)18-9-24(16)12-6-5-11(8-12)15-20-22-23(3)21-15/h7,9,11-12H,4-6,8H2,1-3H3,(H,17,19)/t11-,12?/m1/s1
InChIKeyZOFSYAOGHURAQR-JHJMLUEUSA-N
XLogP2.20
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine (CID 171107369) is N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine is CCNc1cc(C)nc2c1ncn2C1CC[C@@H](c2nnn(C)n2)C1.
What is the InChIKey of N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine?
The InChIKey is ZOFSYAOGHURAQR-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H22N8/c1-4-17-13-7-10(2)19-16-14(13)18-9-24(16)12-6-5-11(8-12)15-20-22-23(3)21-15/h7,9,11-12H,4-6,8H2,1-3H3,(H,17,19)/t11-,12?/m1/s1.
What are the key properties of N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine?
N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine has a molecular weight of 326.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-3-[(3R)-3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 171107369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).