1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine

C24H23FN4O — CID 129295577

IUPAC1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2ccc3c(c2)N(c2ncc(-c4ccccc4F)cn2)CC32COC2)CC1
InChIInChI=1S/C24H23FN4O/c1-26-24(8-9-24)17-6-7-19-21(10-17)29(13-23(19)14-30-15-23)22-27-11-16(12-28-22)18-4-2-3-5-20(18)25/h2-7,10-12,26H,8-9,13-15H2,1H3
InChIKeyQWURZFSAGWXUHX-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.91
Rot. Bonds4

About 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine

1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine (PubChem CID 129295577) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine
PubChem CID129295577
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2ccc3c(c2)N(c2ncc(-c4ccccc4F)cn2)CC32COC2)CC1
InChIInChI=1S/C24H23FN4O/c1-26-24(8-9-24)17-6-7-19-21(10-17)29(13-23(19)14-30-15-23)22-27-11-16(12-28-22)18-4-2-3-5-20(18)25/h2-7,10-12,26H,8-9,13-15H2,1H3
InChIKeyQWURZFSAGWXUHX-UHFFFAOYSA-N
XLogP3.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-5-[2-(5-cyano-4-fluoro-2-methylanilino)pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130270736
(3R)-5-[2-[4-fluoro-5-(hydroxymethyl)-2-methylanilino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130270775
(3R)-5-[2-(5-cyano-2-methylanilino)-5-fluoropyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130271145
5-[[4-[[(8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-fluoropyrimidin-2-yl]amino]-2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 89863660
1-[5-(2-Fluorophenyl)-pyrimidin-2-yl]-N-(3-methoxy-propyl)-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-carboxylic acidamide
CID 138403748
1-[2-[1-(2-amino-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-methyl-2H-indol-6-yl]ethynyl]cyclopentan-1-ol
CID 58221886
5-[[4-[[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-fluoropyrimidin-2-yl]amino]-2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 121289722
5-[[4-[(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)amino]-5-fluoropyrimidin-2-yl]amino]-2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 123670372
2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]piperazine-1-carbaldehyde
CID 126644015
1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282269
N-(2-amino-2-oxoethyl)-1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282274
N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282276

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine (CID 129295577) is 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine is CNC1(c2ccc3c(c2)N(c2ncc(-c4ccccc4F)cn2)CC32COC2)CC1.
What is the InChIKey of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine?
The InChIKey is QWURZFSAGWXUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-26-24(8-9-24)17-6-7-19-21(10-17)29(13-23(19)14-30-15-23)22-27-11-16(12-28-22)18-4-2-3-5-20(18)25/h2-7,10-12,26H,8-9,13-15H2,1H3.
What are the key properties of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine?
1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine has a molecular weight of 402.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 129295577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).