N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide

C33H35N5O3 — CID 142473415

IUPACN-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)Cc2ccccc2CN2CCC2)CC1
InChIInChI=1S/C33H35N5O3/c1-32(11-12-32)31(41)38(20-24-7-3-2-6-23(24)19-37-14-5-15-37)21-28(39)35-26-10-9-22-17-33(18-25(22)16-26)27-8-4-13-34-29(27)36-30(33)40/h2-4,6-10,13,16H,5,11-12,14-15,17-21H2,1H3,(H,35,39)(H,34,36,40)
InChIKeyJMKFOQPOBVTEJM-UHFFFAOYSA-N
MW549.68 g/mol
LogP4.04
Rot. Bonds8

About N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide

N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide (PubChem CID 142473415) has the molecular formula C33H35N5O3 and a molecular weight of 549.68 g/mol. Its IUPAC name is N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide
PubChem CID142473415
Molecular FormulaC33H35N5O3
Molecular Weight549.68 g/mol
Exact Mass549.27
IUPAC NameN-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)Cc2ccccc2CN2CCC2)CC1
InChIInChI=1S/C33H35N5O3/c1-32(11-12-32)31(41)38(20-24-7-3-2-6-23(24)19-37-14-5-15-37)21-28(39)35-26-10-9-22-17-33(18-25(22)16-26)27-8-4-13-34-29(27)36-30(33)40/h2-4,6-10,13,16H,5,11-12,14-15,17-21H2,1H3,(H,35,39)(H,34,36,40)
InChIKeyJMKFOQPOBVTEJM-UHFFFAOYSA-N
XLogP4.04
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.68
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-acetyl-4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-4-carboxamide
CID 146571956
4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 146612610
4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-phenylpiperidine-4-carboxamide
CID 146612622
1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide
CID 167337134
1-benzoyl-4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-4-carboxamide
CID 146612425
1-acetyl-3-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide
CID 146571921
1-(2-cyclopropylacetyl)-4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-4-carboxamide
CID 146612591
4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 150519587
4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 146612453
tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate
CID 146612681
N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1-carboxamide
CID 142473371
1-acetyl-4-methoxy-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-4-carboxamide
CID 146612905

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide (CID 142473415) is N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide is CC1(C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)Cc2ccccc2CN2CCC2)CC1.
What is the InChIKey of N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is JMKFOQPOBVTEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O3/c1-32(11-12-32)31(41)38(20-24-7-3-2-6-23(24)19-37-14-5-15-37)21-28(39)35-26-10-9-22-17-33(18-25(22)16-26)27-8-4-13-34-29(27)36-30(33)40/h2-4,6-10,13,16H,5,11-12,14-15,17-21H2,1H3,(H,35,39)(H,34,36,40).
What are the key properties of N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 549.68 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142473415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).