N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide

C30H28ClF2N5O5 — CID 91300631

IUPACN-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide
SMILESO=C(CN1C(=O)COCCOCNCC1c1cc(F)cc(F)c1)Nc1cc2c(cc1Cl)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C30H28ClF2N5O5/c31-23-8-18-11-30(22-2-1-3-35-28(22)37-29(30)41)12-19(18)9-24(23)36-26(39)14-38-25(17-6-20(32)10-21(33)7-17)13-34-16-43-5-4-42-15-27(38)40/h1-3,6-10,25,34H,4-5,11-16H2,(H,36,39)(H,35,37,41)
InChIKeyHDKSZLUSDBNBIY-UHFFFAOYSA-N
MW612.03 g/mol
LogP3.10
Rot. Bonds4

About N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide

N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide (PubChem CID 91300631) has the molecular formula C30H28ClF2N5O5 and a molecular weight of 612.03 g/mol. Its IUPAC name is N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide
PubChem CID91300631
Molecular FormulaC30H28ClF2N5O5
Molecular Weight612.03 g/mol
Exact Mass611.17
IUPAC NameN-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide
SMILESO=C(CN1C(=O)COCCOCNCC1c1cc(F)cc(F)c1)Nc1cc2c(cc1Cl)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C30H28ClF2N5O5/c31-23-8-18-11-30(22-2-1-3-35-28(22)37-29(30)41)12-19(18)9-24(23)36-26(39)14-38-25(17-6-20(32)10-21(33)7-17)13-34-16-43-5-4-42-15-27(38)40/h1-3,6-10,25,34H,4-5,11-16H2,(H,36,39)(H,35,37,41)
InChIKeyHDKSZLUSDBNBIY-UHFFFAOYSA-N
XLogP3.10
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.03
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide with MolForge

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Related Compounds

2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 25144931
[(Z)-but-2-en-2-yl] (3R)-3-(3,5-difluorophenyl)-5-oxo-4-[2-oxo-2-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)amino]ethyl]-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate
CID 173477162
2-[(8S)-8-(3,5-difluorophenyl)-6-methylidene-7-azaspiro[4.5]decan-7-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)acetamide;hydrate
CID 157307503
2-[(6R)-6-(4-fluorophenyl)-3,3-bis(hydroxymethyl)-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 147392286
bis(2-[6-(3,5-difluorophenyl)-3,3-diethyl-4-hydroxy-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 161320571
2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 75302057
2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 25020444
2-[3-(3,5-difluorophenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(7'-ethyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-indole]-5-yl)acetamide
CID 118328078
2-[3-(3,5-difluorophenyl)-1,3-dimethyl-5-oxo-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 75586310
2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide
CID 91416714
tert-butyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-6,9-diazaspiro[4.5]decane-6-carboxylate;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;bis(2-(5-methyl-9-oxo-7-phenyl-5,8-diazaspiro[3.5]nonan-8-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide);2-(4-methyl-8-oxo-6-phenyl-4,7-diazaspiro[2.5]octan-7-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 161263224
2-[(6S)-6-(2,6-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 45485692

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide?
The IUPAC name of N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide (CID 91300631) is N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide.
What is the SMILES notation for N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide?
The canonical SMILES for N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide is O=C(CN1C(=O)COCCOCNCC1c1cc(F)cc(F)c1)Nc1cc2c(cc1Cl)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide?
The InChIKey is HDKSZLUSDBNBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF2N5O5/c31-23-8-18-11-30(22-2-1-3-35-28(22)37-29(30)41)12-19(18)9-24(23)36-26(39)14-38-25(17-6-20(32)10-21(33)7-17)13-34-16-43-5-4-42-15-27(38)40/h1-3,6-10,25,34H,4-5,11-16H2,(H,36,39)(H,35,37,41).
What are the key properties of N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide?
N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide has a molecular weight of 612.03 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)-2-[5-(3,5-difluorophenyl)-7-oxo-1,9-dioxa-3,6-diazacycloundec-6-yl]acetamide is sourced from PubChem (CID 91300631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).