1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol

C18H25FN6O2 — CID 91792252

IUPAC1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
SMILESCCC(O)c1cc2n(n1)CCCN(c1ncc(F)c(N3CCOCC3)n1)C2
InChIInChI=1S/C18H25FN6O2/c1-2-16(26)15-10-13-12-24(4-3-5-25(13)22-15)18-20-11-14(19)17(21-18)23-6-8-27-9-7-23/h10-11,16,26H,2-9,12H2,1H3
InChIKeyQRYDXQUBRYPMRF-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.50
Rot. Bonds4

About 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol

1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol (PubChem CID 91792252) has the molecular formula C18H25FN6O2 and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
PubChem CID91792252
Molecular FormulaC18H25FN6O2
Molecular Weight376.44 g/mol
Exact Mass376.20
IUPAC Name1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
SMILESCCC(O)c1cc2n(n1)CCCN(c1ncc(F)c(N3CCOCC3)n1)C2
InChIInChI=1S/C18H25FN6O2/c1-2-16(26)15-10-13-12-24(4-3-5-25(13)22-15)18-20-11-14(19)17(21-18)23-6-8-27-9-7-23/h10-11,16,26H,2-9,12H2,1H3
InChIKeyQRYDXQUBRYPMRF-UHFFFAOYSA-N
XLogP1.50
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol?
The IUPAC name of 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol (CID 91792252) is 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol is CCC(O)c1cc2n(n1)CCCN(c1ncc(F)c(N3CCOCC3)n1)C2.
What is the InChIKey of 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol?
The InChIKey is QRYDXQUBRYPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6O2/c1-2-16(26)15-10-13-12-24(4-3-5-25(13)22-15)18-20-11-14(19)17(21-18)23-6-8-27-9-7-23/h10-11,16,26H,2-9,12H2,1H3.
What are the key properties of 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol?
1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol has a molecular weight of 376.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol is sourced from PubChem (CID 91792252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).