methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate

C20H22N8O2 — CID 165417580

IUPACmethyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate
SMILESCCn1c(N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)nc2cc(C(=O)OC)cnc21
InChIInChI=1S/C20H22N8O2/c1-4-28-18-15(5-12(6-21-18)19(29)30-3)25-20(28)27-9-14(13-7-24-26(2)8-13)17-16(10-27)22-11-23-17/h5-8,11,14H,4,9-10H2,1-3H3,(H,22,23)
InChIKeyRWHJFPSIBQAFLW-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.85
Rot. Bonds4

About methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate

methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 165417580) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate
PubChem CID165417580
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Namemethyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate
SMILESCCn1c(N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)nc2cc(C(=O)OC)cnc21
InChIInChI=1S/C20H22N8O2/c1-4-28-18-15(5-12(6-21-18)19(29)30-3)25-20(28)27-9-14(13-7-24-26(2)8-13)17-16(10-27)22-11-23-17/h5-8,11,14H,4,9-10H2,1-3H3,(H,22,23)
InChIKeyRWHJFPSIBQAFLW-UHFFFAOYSA-N
XLogP1.85
TPSA106.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate (CID 165417580) is methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate is CCn1c(N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)nc2cc(C(=O)OC)cnc21.
What is the InChIKey of methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is RWHJFPSIBQAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-4-28-18-15(5-12(6-21-18)19(29)30-3)25-20(28)27-9-14(13-7-24-26(2)8-13)17-16(10-27)22-11-23-17/h5-8,11,14H,4,9-10H2,1-3H3,(H,22,23).
What are the key properties of methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate?
methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 406.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 165417580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).