(2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

C18H24N4O3 — CID 131695501

IUPAC(2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1occc1C(=O)N1Cc2ccnn2CCC1CN1CCOCC1
InChIInChI=1S/C18H24N4O3/c1-14-17(4-9-25-14)18(23)21-13-16-2-5-19-22(16)6-3-15(21)12-20-7-10-24-11-8-20/h2,4-5,9,15H,3,6-8,10-13H2,1H3
InChIKeyILVGJPDIDIEKDM-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.53
Rot. Bonds3

About (2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

(2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 131695501) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID131695501
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name(2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1occc1C(=O)N1Cc2ccnn2CCC1CN1CCOCC1
InChIInChI=1S/C18H24N4O3/c1-14-17(4-9-25-14)18(23)21-13-16-2-5-19-22(16)6-3-15(21)12-20-7-10-24-11-8-20/h2,4-5,9,15H,3,6-8,10-13H2,1H3
InChIKeyILVGJPDIDIEKDM-UHFFFAOYSA-N
XLogP1.53
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 131695501) is (2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is Cc1occc1C(=O)N1Cc2ccnn2CCC1CN1CCOCC1.
What is the InChIKey of (2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is ILVGJPDIDIEKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-17(4-9-25-14)18(23)21-13-16-2-5-19-22(16)6-3-15(21)12-20-7-10-24-11-8-20/h2,4-5,9,15H,3,6-8,10-13H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
(2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 344.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 131695501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).