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

C21H23N5O2 — CID 134805012

IUPAC2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cc2cc(CN(C)C)oc2c(NCc2cccnc2)n1
InChIInChI=1S/C21H23N5O2/c1-13-19(14(2)28-25-13)18-9-16-8-17(12-26(3)4)27-20(16)21(24-18)23-11-15-6-5-7-22-10-15/h5-10H,11-12H2,1-4H3,(H,23,24)
InChIKeyDATGVAIOQQZPEY-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.17
Rot. Bonds6

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

2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine (PubChem CID 134805012) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine
PubChem CID134805012
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cc2cc(CN(C)C)oc2c(NCc2cccnc2)n1
InChIInChI=1S/C21H23N5O2/c1-13-19(14(2)28-25-13)18-9-16-8-17(12-26(3)4)27-20(16)21(24-18)23-11-15-6-5-7-22-10-15/h5-10H,11-12H2,1-4H3,(H,23,24)
InChIKeyDATGVAIOQQZPEY-UHFFFAOYSA-N
XLogP4.17
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine (CID 134805012) is 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine is Cc1noc(C)c1-c1cc2cc(CN(C)C)oc2c(NCc2cccnc2)n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine?
The InChIKey is DATGVAIOQQZPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-19(14(2)28-25-13)18-9-16-8-17(12-26(3)4)27-20(16)21(24-18)23-11-15-6-5-7-22-10-15/h5-10H,11-12H2,1-4H3,(H,23,24).
What are the key properties of 2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine?
2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine has a molecular weight of 377.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(pyridin-3-ylmethyl)furo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 134805012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).