7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine

C24H34N8 — CID 175482699

IUPAC7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine
SMILESCn1cnc2c(Nc3cc(N)ncn3)cc(NC(C3CCCCC3)C3CCCCC3)nc21
InChIInChI=1S/C24H34N8/c1-32-15-28-23-18(29-20-13-19(25)26-14-27-20)12-21(31-24(23)32)30-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h12-17,22H,2-11H2,1H3,(H4,25,26,27,29,30,31)
InChIKeySWGSAGFVWJYPHS-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.03
Rot. Bonds6

About 7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine

7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 175482699) has the molecular formula C24H34N8 and a molecular weight of 434.59 g/mol. Its IUPAC name is 7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine
PubChem CID175482699
Molecular FormulaC24H34N8
Molecular Weight434.59 g/mol
Exact Mass434.29
IUPAC Name7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine
SMILESCn1cnc2c(Nc3cc(N)ncn3)cc(NC(C3CCCCC3)C3CCCCC3)nc21
InChIInChI=1S/C24H34N8/c1-32-15-28-23-18(29-20-13-19(25)26-14-27-20)12-21(31-24(23)32)30-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h12-17,22H,2-11H2,1H3,(H4,25,26,27,29,30,31)
InChIKeySWGSAGFVWJYPHS-UHFFFAOYSA-N
XLogP5.03
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine (CID 175482699) is 7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine is Cn1cnc2c(Nc3cc(N)ncn3)cc(NC(C3CCCCC3)C3CCCCC3)nc21.
What is the InChIKey of 7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is SWGSAGFVWJYPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8/c1-32-15-28-23-18(29-20-13-19(25)26-14-27-20)12-21(31-24(23)32)30-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h12-17,22H,2-11H2,1H3,(H4,25,26,27,29,30,31).
What are the key properties of 7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine?
7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 434.59 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(6-aminopyrimidin-4-yl)-5-N-(dicyclohexylmethyl)-3-methylimidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 175482699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).