N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide

C24H22FN5O3 — CID 129282274

IUPACN-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
SMILESCN(CC(N)=O)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21COC1
InChIInChI=1S/C24H22FN5O3/c1-29(11-21(26)31)22(32)15-6-7-18-20(8-15)30(12-24(18)13-33-14-24)23-27-9-16(10-28-23)17-4-2-3-5-19(17)25/h2-10H,11-14H2,1H3,(H2,26,31)
InChIKeyYWIKYXBZHNNZOX-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.26
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide

N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide (PubChem CID 129282274) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
PubChem CID129282274
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC NameN-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
SMILESCN(CC(N)=O)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21COC1
InChIInChI=1S/C24H22FN5O3/c1-29(11-21(26)31)22(32)15-6-7-18-20(8-15)30(12-24(18)13-33-14-24)23-27-9-16(10-28-23)17-4-2-3-5-19(17)25/h2-10H,11-14H2,1H3,(H2,26,31)
InChIKeyYWIKYXBZHNNZOX-UHFFFAOYSA-N
XLogP2.26
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide (CID 129282274) is N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide is CN(CC(N)=O)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21COC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
The InChIKey is YWIKYXBZHNNZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-29(11-21(26)31)22(32)15-6-7-18-20(8-15)30(12-24(18)13-33-14-24)23-27-9-16(10-28-23)17-4-2-3-5-19(17)25/h2-10H,11-14H2,1H3,(H2,26,31).
What are the key properties of N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide is sourced from PubChem (CID 129282274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).