N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide

C32H29F2N5O2 — CID 58379681

IUPACN-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](C)c2cc(F)cc(F)c2)n(C)n1
InChIInChI=1S/C32H29F2N5O2/c1-19-12-28(38(3)37-19)30(40)39(20(2)23-14-25(33)16-26(34)15-23)11-5-6-21-8-9-22-17-32(18-24(22)13-21)27-7-4-10-35-29(27)36-31(32)41/h4-10,12-16,20H,11,17-18H2,1-3H3,(H,35,36,41)/b6-5+/t20-,32-/m1/s1
InChIKeyVSXKCMDTFNFBTN-NNVRKPJOSA-N
MW553.61 g/mol
LogP5.31
Rot. Bonds6

About N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide

N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide (PubChem CID 58379681) has the molecular formula C32H29F2N5O2 and a molecular weight of 553.61 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide
PubChem CID58379681
Molecular FormulaC32H29F2N5O2
Molecular Weight553.61 g/mol
Exact Mass553.23
IUPAC NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](C)c2cc(F)cc(F)c2)n(C)n1
InChIInChI=1S/C32H29F2N5O2/c1-19-12-28(38(3)37-19)30(40)39(20(2)23-14-25(33)16-26(34)15-23)11-5-6-21-8-9-22-17-32(18-24(22)13-21)27-7-4-10-35-29(27)36-31(32)41/h4-10,12-16,20H,11,17-18H2,1-3H3,(H,35,36,41)/b6-5+/t20-,32-/m1/s1
InChIKeyVSXKCMDTFNFBTN-NNVRKPJOSA-N
XLogP5.31
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.61
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide (CID 58379681) is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H](C)c2cc(F)cc(F)c2)n(C)n1.
What is the InChIKey of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide?
The InChIKey is VSXKCMDTFNFBTN-NNVRKPJOSA-N. The full InChI is InChI=1S/C32H29F2N5O2/c1-19-12-28(38(3)37-19)30(40)39(20(2)23-14-25(33)16-26(34)15-23)11-5-6-21-8-9-22-17-32(18-24(22)13-21)27-7-4-10-35-29(27)36-31(32)41/h4-10,12-16,20H,11,17-18H2,1-3H3,(H,35,36,41)/b6-5+/t20-,32-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide?
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide has a molecular weight of 553.61 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,5-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]pyrazole-3-carboxamide is sourced from PubChem (CID 58379681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).