(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C18H23N7O2 — CID 70707084

IUPAC(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCn1nc(CO)c2c1CCN(C(=O)c1cnc3c(c1)nc(N)n3CC)C2
InChIInChI=1S/C18H23N7O2/c1-3-24-16-13(21-18(24)19)7-11(8-20-16)17(27)23-6-5-15-12(9-23)14(10-26)22-25(15)4-2/h7-8,26H,3-6,9-10H2,1-2H3,(H2,19,21)
InChIKeyXXUHYGIRPSBVPC-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.94
Rot. Bonds4

About (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 70707084) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID70707084
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCn1nc(CO)c2c1CCN(C(=O)c1cnc3c(c1)nc(N)n3CC)C2
InChIInChI=1S/C18H23N7O2/c1-3-24-16-13(21-18(24)19)7-11(8-20-16)17(27)23-6-5-15-12(9-23)14(10-26)22-25(15)4-2/h7-8,26H,3-6,9-10H2,1-2H3,(H2,19,21)
InChIKeyXXUHYGIRPSBVPC-UHFFFAOYSA-N
XLogP0.94
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 70707084) is (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is CCn1nc(CO)c2c1CCN(C(=O)c1cnc3c(c1)nc(N)n3CC)C2.
What is the InChIKey of (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is XXUHYGIRPSBVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-3-24-16-13(21-18(24)19)7-11(8-20-16)17(27)23-6-5-15-12(9-23)14(10-26)22-25(15)4-2/h7-8,26H,3-6,9-10H2,1-2H3,(H2,19,21).
What are the key properties of (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 70707084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).