7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C16H20FN7O2 — CID 157019825

IUPAC7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESNC(=O)c1cn2c(n1)CCN(c1ncc(F)c(N3CCOCC3)n1)CC2
InChIInChI=1S/C16H20FN7O2/c17-11-9-19-16(21-15(11)22-5-7-26-8-6-22)23-2-1-13-20-12(14(18)25)10-24(13)4-3-23/h9-10H,1-8H2,(H2,18,25)
InChIKeySIXYTTHTFQPPSO-UHFFFAOYSA-N
MW361.38 g/mol
LogP-0.19
Rot. Bonds3

About 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 157019825) has the molecular formula C16H20FN7O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID157019825
Molecular FormulaC16H20FN7O2
Molecular Weight361.38 g/mol
Exact Mass361.17
IUPAC Name7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESNC(=O)c1cn2c(n1)CCN(c1ncc(F)c(N3CCOCC3)n1)CC2
InChIInChI=1S/C16H20FN7O2/c17-11-9-19-16(21-15(11)22-5-7-26-8-6-22)23-2-1-13-20-12(14(18)25)10-24(13)4-3-23/h9-10H,1-8H2,(H2,18,25)
InChIKeySIXYTTHTFQPPSO-UHFFFAOYSA-N
XLogP-0.19
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 157019825) is 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is NC(=O)c1cn2c(n1)CCN(c1ncc(F)c(N3CCOCC3)n1)CC2.
What is the InChIKey of 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is SIXYTTHTFQPPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN7O2/c17-11-9-19-16(21-15(11)22-5-7-26-8-6-22)23-2-1-13-20-12(14(18)25)10-24(13)4-3-23/h9-10H,1-8H2,(H2,18,25).
What are the key properties of 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 361.38 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 157019825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).