1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one

C19H18ClFN4O2 — CID 134242059

IUPAC1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
SMILESO=C1N(Cc2cnc(Cl)nc2N2CCOCC2)c2cc(F)ccc2C12CC2
InChIInChI=1S/C19H18ClFN4O2/c20-18-22-10-12(16(23-18)24-5-7-27-8-6-24)11-25-15-9-13(21)1-2-14(15)19(3-4-19)17(25)26/h1-2,9-10H,3-8,11H2
InChIKeyATCRXBGETDHNKU-UHFFFAOYSA-N
MW388.83 g/mol
LogP2.68
Rot. Bonds3

About 1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one

1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 134242059) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID134242059
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
SMILESO=C1N(Cc2cnc(Cl)nc2N2CCOCC2)c2cc(F)ccc2C12CC2
InChIInChI=1S/C19H18ClFN4O2/c20-18-22-10-12(16(23-18)24-5-7-27-8-6-24)11-25-15-9-13(21)1-2-14(15)19(3-4-19)17(25)26/h1-2,9-10H,3-8,11H2
InChIKeyATCRXBGETDHNKU-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one (CID 134242059) is 1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one is O=C1N(Cc2cnc(Cl)nc2N2CCOCC2)c2cc(F)ccc2C12CC2.
What is the InChIKey of 1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is ATCRXBGETDHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c20-18-22-10-12(16(23-18)24-5-7-27-8-6-24)11-25-15-9-13(21)1-2-14(15)19(3-4-19)17(25)26/h1-2,9-10H,3-8,11H2.
What are the key properties of 1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one?
1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 388.83 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 134242059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).