N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide

C27H25F2N3O3 — CID 42167159

IUPACN-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccncc2)c2ccccc2C12CCN(C(=O)c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C27H25F2N3O3/c1-35-24-23(31-25(33)17-6-10-30-11-7-17)21-4-2-3-5-22(21)27(24)8-12-32(13-9-27)26(34)18-14-19(28)16-20(29)15-18/h2-7,10-11,14-16,23-24H,8-9,12-13H2,1H3,(H,31,33)/t23-,24+/m1/s1
InChIKeyLVQLAPNHGWYFQU-RPWUZVMVSA-N
MW477.51 g/mol
LogP4.03
Rot. Bonds4

About N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide

N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide (PubChem CID 42167159) has the molecular formula C27H25F2N3O3 and a molecular weight of 477.51 g/mol. Its IUPAC name is N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
PubChem CID42167159
Molecular FormulaC27H25F2N3O3
Molecular Weight477.51 g/mol
Exact Mass477.19
IUPAC NameN-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccncc2)c2ccccc2C12CCN(C(=O)c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C27H25F2N3O3/c1-35-24-23(31-25(33)17-6-10-30-11-7-17)21-4-2-3-5-22(21)27(24)8-12-32(13-9-27)26(34)18-14-19(28)16-20(29)15-18/h2-7,10-11,14-16,23-24H,8-9,12-13H2,1H3,(H,31,33)/t23-,24+/m1/s1
InChIKeyLVQLAPNHGWYFQU-RPWUZVMVSA-N
XLogP4.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide (CID 42167159) is N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide is CO[C@H]1[C@H](NC(=O)c2ccncc2)c2ccccc2C12CCN(C(=O)c1cc(F)cc(F)c1)CC2.
What is the InChIKey of N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The InChIKey is LVQLAPNHGWYFQU-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H25F2N3O3/c1-35-24-23(31-25(33)17-6-10-30-11-7-17)21-4-2-3-5-22(21)27(24)8-12-32(13-9-27)26(34)18-14-19(28)16-20(29)15-18/h2-7,10-11,14-16,23-24H,8-9,12-13H2,1H3,(H,31,33)/t23-,24+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide has a molecular weight of 477.51 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 42167159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).