3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one

C19H26N6O2 — CID 70785678

IUPAC3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nccc(N2CCCn3nc(CCC(=O)N4CCOCC4)cc3C2)n1
InChIInChI=1S/C19H26N6O2/c1-15-20-6-5-18(21-15)24-7-2-8-25-17(14-24)13-16(22-25)3-4-19(26)23-9-11-27-12-10-23/h5-6,13H,2-4,7-12,14H2,1H3
InChIKeyMKYLNGCMZOARAN-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.18
Rot. Bonds4

About 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one

3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 70785678) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID70785678
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nccc(N2CCCn3nc(CCC(=O)N4CCOCC4)cc3C2)n1
InChIInChI=1S/C19H26N6O2/c1-15-20-6-5-18(21-15)24-7-2-8-25-17(14-24)13-16(22-25)3-4-19(26)23-9-11-27-12-10-23/h5-6,13H,2-4,7-12,14H2,1H3
InChIKeyMKYLNGCMZOARAN-UHFFFAOYSA-N
XLogP1.18
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one (CID 70785678) is 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one is Cc1nccc(N2CCCn3nc(CCC(=O)N4CCOCC4)cc3C2)n1.
What is the InChIKey of 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is MKYLNGCMZOARAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-15-20-6-5-18(21-15)24-7-2-8-25-17(14-24)13-16(22-25)3-4-19(26)23-9-11-27-12-10-23/h5-6,13H,2-4,7-12,14H2,1H3.
What are the key properties of 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one?
3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 370.46 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 70785678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).