(5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone

C17H19N5O2 — CID 97467104

IUPAC(5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESCc1ccc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)o1
InChIInChI=1S/C17H19N5O2/c1-13-3-4-15(24-13)17(23)20-8-5-16-18-11-14(22(16)10-9-20)12-21-7-2-6-19-21/h2-4,6-7,11H,5,8-10,12H2,1H3
InChIKeyPMTXTRJVKLBMJK-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.73
Rot. Bonds3

About (5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone

(5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (PubChem CID 97467104) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
PubChem CID97467104
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESCc1ccc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)o1
InChIInChI=1S/C17H19N5O2/c1-13-3-4-15(24-13)17(23)20-8-5-16-18-11-14(22(16)10-9-20)12-21-7-2-6-19-21/h2-4,6-7,11H,5,8-10,12H2,1H3
InChIKeyPMTXTRJVKLBMJK-UHFFFAOYSA-N
XLogP1.73
TPSA69.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The IUPAC name of (5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (CID 97467104) is (5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The canonical SMILES for (5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is Cc1ccc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The InChIKey is PMTXTRJVKLBMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-13-3-4-15(24-13)17(23)20-8-5-16-18-11-14(22(16)10-9-20)12-21-7-2-6-19-21/h2-4,6-7,11H,5,8-10,12H2,1H3.
What are the key properties of (5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
(5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is sourced from PubChem (CID 97467104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).