1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

C28H30FN5O2 — CID 118659783

IUPAC1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(N4CCCC4)ccc3F)cn1)CC21CC1
InChIInChI=1S/C28H30FN5O2/c1-32(12-13-35)26(36)19-4-6-23-25(14-19)34(18-28(23)8-9-28)27-30-16-20(17-31-27)22-15-21(5-7-24(22)29)33-10-2-3-11-33/h4-7,14-17,35H,2-3,8-13,18H2,1H3
InChIKeyQCCFOKHJRTVDQR-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.13
Rot. Bonds6

About 1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659783) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound Name1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659783
Molecular FormulaC28H30FN5O2
Molecular Weight487.58 g/mol
Exact Mass487.24
IUPAC Name1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(N4CCCC4)ccc3F)cn1)CC21CC1
InChIInChI=1S/C28H30FN5O2/c1-32(12-13-35)26(36)19-4-6-23-25(14-19)34(18-28(23)8-9-28)27-30-16-20(17-31-27)22-15-21(5-7-24(22)29)33-10-2-3-11-33/h4-7,14-17,35H,2-3,8-13,18H2,1H3
InChIKeyQCCFOKHJRTVDQR-UHFFFAOYSA-N
XLogP4.13
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of 1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659783) is 1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for 1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for 1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is CN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(N4CCCC4)ccc3F)cn1)CC21CC1.
What is the InChIKey of 1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is QCCFOKHJRTVDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2/c1-32(12-13-35)26(36)19-4-6-23-25(14-19)34(18-28(23)8-9-28)27-30-16-20(17-31-27)22-15-21(5-7-24(22)29)33-10-2-3-11-33/h4-7,14-17,35H,2-3,8-13,18H2,1H3.
What are the key properties of 1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).