5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C18H17Cl2F2N3O2 — CID 176994011

IUPAC5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)N1CC[C@]2(C1)CC2(F)F
InChIInChI=1S/C18H17Cl2F2N3O2/c1-9(16(27)25-3-2-17(8-25)7-18(17,21)22)23-15(26)14-5-10-4-11(19)12(20)6-13(10)24-14/h4-6,9,24H,2-3,7-8H2,1H3,(H,23,26)/t9-,17-/m1/s1
InChIKeyLTQCQFVWPLSYGR-VVVCHXIZSA-N
MW416.26 g/mol
LogP3.85
Rot. Bonds3

About 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide

5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 176994011) has the molecular formula C18H17Cl2F2N3O2 and a molecular weight of 416.26 g/mol. Its IUPAC name is 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID176994011
Molecular FormulaC18H17Cl2F2N3O2
Molecular Weight416.26 g/mol
Exact Mass415.07
IUPAC Name5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)N1CC[C@]2(C1)CC2(F)F
InChIInChI=1S/C18H17Cl2F2N3O2/c1-9(16(27)25-3-2-17(8-25)7-18(17,21)22)23-15(26)14-5-10-4-11(19)12(20)6-13(10)24-14/h4-6,9,24H,2-3,7-8H2,1H3,(H,23,26)/t9-,17-/m1/s1
InChIKeyLTQCQFVWPLSYGR-VVVCHXIZSA-N
XLogP3.85
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176994015
6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen
CID 176993893
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-pyrazol-1-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176993743
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 176994031
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-chloro-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176993755
N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 174372587
N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 176993910
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176993825
5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide
CID 176993767
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide
CID 174373909
(6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone
CID 162479050
5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 168922734

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 176994011) is 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)N1CC[C@]2(C1)CC2(F)F.
What is the InChIKey of 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is LTQCQFVWPLSYGR-VVVCHXIZSA-N. The full InChI is InChI=1S/C18H17Cl2F2N3O2/c1-9(16(27)25-3-2-17(8-25)7-18(17,21)22)23-15(26)14-5-10-4-11(19)12(20)6-13(10)24-14/h4-6,9,24H,2-3,7-8H2,1H3,(H,23,26)/t9-,17-/m1/s1.
What are the key properties of 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 416.26 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176994011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).