N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide

C32H30F2N4O2 — CID 52942173

IUPACN-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide
SMILESC[C@H](c1cc(F)cc(F)c1)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C(=O)C(C)(C)C
InChIInChI=1S/C32H30F2N4O2/c1-18(20-10-24(33)13-25(34)11-20)38(30(40)31(2,3)4)17-19-8-21-9-22-14-32(15-23(22)12-27(21)36-16-19)26-6-5-7-35-28(26)37-29(32)39/h5-13,16,18H,14-15,17H2,1-4H3,(H,35,37,39)/t18-,32+/m1/s1
InChIKeyRGMJGGSGBPLMKC-CVCYQNGTSA-N
MW540.61 g/mol
LogP6.03
Rot. Bonds4

About N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide

N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide (PubChem CID 52942173) has the molecular formula C32H30F2N4O2 and a molecular weight of 540.61 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide
PubChem CID52942173
Molecular FormulaC32H30F2N4O2
Molecular Weight540.61 g/mol
Exact Mass540.23
IUPAC NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide
SMILESC[C@H](c1cc(F)cc(F)c1)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C(=O)C(C)(C)C
InChIInChI=1S/C32H30F2N4O2/c1-18(20-10-24(33)13-25(34)11-20)38(30(40)31(2,3)4)17-19-8-21-9-22-14-32(15-23(22)12-27(21)36-16-19)26-6-5-7-35-28(26)37-29(32)39/h5-13,16,18H,14-15,17H2,1-4H3,(H,35,37,39)/t18-,32+/m1/s1
InChIKeyRGMJGGSGBPLMKC-CVCYQNGTSA-N
XLogP6.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.61
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]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-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide?
The IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide (CID 52942173) is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide is C[C@H](c1cc(F)cc(F)c1)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)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-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide?
The InChIKey is RGMJGGSGBPLMKC-CVCYQNGTSA-N. The full InChI is InChI=1S/C32H30F2N4O2/c1-18(20-10-24(33)13-25(34)11-20)38(30(40)31(2,3)4)17-19-8-21-9-22-14-32(15-23(22)12-27(21)36-16-19)26-6-5-7-35-28(26)37-29(32)39/h5-13,16,18H,14-15,17H2,1-4H3,(H,35,37,39)/t18-,32+/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide?
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide has a molecular weight of 540.61 g/mol, XLogP of 6.03, 4 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-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]propanamide is sourced from PubChem (CID 52942173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).