2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine

C21H23N5O3 — CID 134808134

IUPAC2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine
SMILESCOc1ccc(Nc2nc(-c3c(C)noc3C)cc3cc(CN(C)C)oc23)cn1
InChIInChI=1S/C21H23N5O3/c1-12-19(13(2)29-25-12)17-9-14-8-16(11-26(3)4)28-20(14)21(24-17)23-15-6-7-18(27-5)22-10-15/h6-10H,11H2,1-5H3,(H,23,24)
InChIKeyULFDCGQMXSSBLT-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.31
Rot. Bonds6

About 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine

2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine (PubChem CID 134808134) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine
PubChem CID134808134
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine
SMILESCOc1ccc(Nc2nc(-c3c(C)noc3C)cc3cc(CN(C)C)oc23)cn1
InChIInChI=1S/C21H23N5O3/c1-12-19(13(2)29-25-12)17-9-14-8-16(11-26(3)4)28-20(14)21(24-17)23-15-6-7-18(27-5)22-10-15/h6-10H,11H2,1-5H3,(H,23,24)
InChIKeyULFDCGQMXSSBLT-UHFFFAOYSA-N
XLogP4.31
TPSA89.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine (CID 134808134) is 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine is COc1ccc(Nc2nc(-c3c(C)noc3C)cc3cc(CN(C)C)oc23)cn1.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine?
The InChIKey is ULFDCGQMXSSBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12-19(13(2)29-25-12)17-9-14-8-16(11-26(3)4)28-20(14)21(24-17)23-15-6-7-18(27-5)22-10-15/h6-10H,11H2,1-5H3,(H,23,24).
What are the key properties of 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine?
2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine has a molecular weight of 393.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)furo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 134808134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).