N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide

C30H32F2N4O2 — CID 72945913

IUPACN-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide
SMILESC[C@H](c1cc(F)cc(F)c1)N(CCCc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C
InChIInChI=1S/C30H32F2N4O2/c1-18(20-12-22(31)14-23(32)13-20)36(28(38)29(2,3)4)10-6-7-19-11-21-15-30(16-25(21)34-17-19)24-8-5-9-33-26(24)35-27(30)37/h5,8-9,11-14,17-18H,6-7,10,15-16H2,1-4H3,(H,33,35,37)/t18-,30+/m1/s1
InChIKeyBURSVINJULGQMN-JJCDCTGGSA-N
MW518.61 g/mol
LogP5.31
Rot. Bonds6

About N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide

N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide (PubChem CID 72945913) has the molecular formula C30H32F2N4O2 and a molecular weight of 518.61 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide
PubChem CID72945913
Molecular FormulaC30H32F2N4O2
Molecular Weight518.61 g/mol
Exact Mass518.25
IUPAC NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide
SMILESC[C@H](c1cc(F)cc(F)c1)N(CCCc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C
InChIInChI=1S/C30H32F2N4O2/c1-18(20-12-22(31)14-23(32)13-20)36(28(38)29(2,3)4)10-6-7-19-11-21-15-30(16-25(21)34-17-19)24-8-5-9-33-26(24)35-27(30)37/h5,8-9,11-14,17-18H,6-7,10,15-16H2,1-4H3,(H,33,35,37)/t18-,30+/m1/s1
InChIKeyBURSVINJULGQMN-JJCDCTGGSA-N
XLogP5.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.61
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide?
The IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide (CID 72945913) is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide is C[C@H](c1cc(F)cc(F)c1)N(CCCc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C.
What is the InChIKey of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide?
The InChIKey is BURSVINJULGQMN-JJCDCTGGSA-N. The full InChI is InChI=1S/C30H32F2N4O2/c1-18(20-12-22(31)14-23(32)13-20)36(28(38)29(2,3)4)10-6-7-19-11-21-15-30(16-25(21)34-17-19)24-8-5-9-33-26(24)35-27(30)37/h5,8-9,11-14,17-18H,6-7,10,15-16H2,1-4H3,(H,33,35,37)/t18-,30+/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide?
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide has a molecular weight of 518.61 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]propanamide is sourced from PubChem (CID 72945913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).