4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C17H20N6 — CID 135335920

IUPAC4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCC1CC1
InChIInChI=1S/C17H20N6/c1-10-20-14-5-4-13(12-8-15(18)22-16(19)9-12)21-17(14)23(10)7-6-11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H4,18,19,22)
InChIKeyLABZCIRKVRLLIA-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.77
Rot. Bonds4

About 4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335920) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335920
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCC1CC1
InChIInChI=1S/C17H20N6/c1-10-20-14-5-4-13(12-8-15(18)22-16(19)9-12)21-17(14)23(10)7-6-11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H4,18,19,22)
InChIKeyLABZCIRKVRLLIA-UHFFFAOYSA-N
XLogP2.77
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335920) is 4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCC1CC1.
What is the InChIKey of 4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is LABZCIRKVRLLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-10-20-14-5-4-13(12-8-15(18)22-16(19)9-12)21-17(14)23(10)7-6-11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H4,18,19,22).
What are the key properties of 4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 308.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).