[1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

C23H21FN6O2 — CID 118659829

IUPAC[1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3cc(F)ncn3)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C23H21FN6O2/c24-20-10-18(27-14-28-20)16-11-25-22(26-12-16)30-13-23(3-4-23)17-2-1-15(9-19(17)30)21(31)29-5-7-32-8-6-29/h1-2,9-12,14H,3-8,13H2
InChIKeyJENPBBIMYRQWLD-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.73
Rot. Bonds3

About [1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

[1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118659829) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is [1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118659829
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name[1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3cc(F)ncn3)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C23H21FN6O2/c24-20-10-18(27-14-28-20)16-11-25-22(26-12-16)30-13-23(3-4-23)17-2-1-15(9-19(17)30)21(31)29-5-7-32-8-6-29/h1-2,9-12,14H,3-8,13H2
InChIKeyJENPBBIMYRQWLD-UHFFFAOYSA-N
XLogP2.73
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118659829) is [1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(c1)N(c1ncc(-c3cc(F)ncn3)cn1)CC21CC1)N1CCOCC1.
What is the InChIKey of [1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is JENPBBIMYRQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c24-20-10-18(27-14-28-20)16-11-25-22(26-12-16)30-13-23(3-4-23)17-2-1-15(9-19(17)30)21(31)29-5-7-32-8-6-29/h1-2,9-12,14H,3-8,13H2.
What are the key properties of [1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 432.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(6-fluoropyrimidin-4-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118659829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).