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

C18H22N6 — CID 135335906

IUPAC4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC1CC1(C)C
InChIInChI=1S/C18H22N6/c1-10-21-14-5-4-13(11-6-15(19)23-16(20)7-11)22-17(14)24(10)9-12-8-18(12,2)3/h4-7,12H,8-9H2,1-3H3,(H4,19,20,23)
InChIKeyKNDNNRGAJQVSOF-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.01
Rot. Bonds3

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

4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335906) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335906
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC1CC1(C)C
InChIInChI=1S/C18H22N6/c1-10-21-14-5-4-13(11-6-15(19)23-16(20)7-11)22-17(14)24(10)9-12-8-18(12,2)3/h4-7,12H,8-9H2,1-3H3,(H4,19,20,23)
InChIKeyKNDNNRGAJQVSOF-UHFFFAOYSA-N
XLogP3.01
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335906) is 4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC1CC1(C)C.
What is the InChIKey of 4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is KNDNNRGAJQVSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-10-21-14-5-4-13(11-6-15(19)23-16(20)7-11)22-17(14)24(10)9-12-8-18(12,2)3/h4-7,12H,8-9H2,1-3H3,(H4,19,20,23).
What are the key properties of 4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 322.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).