N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide

C27H27F2N7O2 — CID 176511318

IUPACN-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])C(n1cc2c(N3C[C@H](N)C4(CC4)C3)c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc2n1)C([2H])([2H])[2H]
InChIInChI=1S/C27H27F2N7O2/c1-15(2)35-12-16-19(32-35)6-7-20(24(16)34-13-22(30)27(14-34)10-11-27)31-26(38)21-8-9-23(37)36(33-21)25-17(28)4-3-5-18(25)29/h3-9,12,15,22H,10-11,13-14,30H2,1-2H3,(H,31,38)/t22-/m0/s1/i1D3,2D3
InChIKeyJNGIOYDKOVGWKK-CDEOAZEJSA-N
MW525.59 g/mol
LogP3.62
Rot. Bonds7

About N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide

N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 176511318) has the molecular formula C27H27F2N7O2 and a molecular weight of 525.59 g/mol. Its IUPAC name is N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID176511318
Molecular FormulaC27H27F2N7O2
Molecular Weight525.59 g/mol
Exact Mass525.26
IUPAC NameN-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])C(n1cc2c(N3C[C@H](N)C4(CC4)C3)c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc2n1)C([2H])([2H])[2H]
InChIInChI=1S/C27H27F2N7O2/c1-15(2)35-12-16-19(32-35)6-7-20(24(16)34-13-22(30)27(14-34)10-11-27)31-26(38)21-8-9-23(37)36(33-21)25-17(28)4-3-5-18(25)29/h3-9,12,15,22H,10-11,13-14,30H2,1-2H3,(H,31,38)/t22-/m0/s1/i1D3,2D3
InChIKeyJNGIOYDKOVGWKK-CDEOAZEJSA-N
XLogP3.62
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.59
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 170091185
N-[4-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-2-tert-butylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 170091149
N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988851
N-[4-[(4S)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-(1,1,2,2,2-pentadeuterioethyl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 177108972
N-[2-(1-bicyclo[1.1.1]pentanyl)-4-[(3S)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988613
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-1-propan-2-ylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988251
N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-propan-2-ylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 170091833
N-[4-[(3R)-3-amino-3-methylpyrrolidin-1-yl]-1-propan-2-ylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988706
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988990
N-[4-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-tert-butylindazol-5-yl]formamide;2-(2,6-difluorophenyl)-6-methylpyridazin-3-one
CID 168989049
N-[4-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-2-methyl-1-[(3S)-oxolan-3-yl]benzimidazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988344
N-[4-(3-aminopyrrolidin-1-yl)-1,3-dimethyl-2-propan-2-yl-2H-benzimidazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988856

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (CID 176511318) is N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is [2H]C([2H])([2H])C(n1cc2c(N3C[C@H](N)C4(CC4)C3)c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc2n1)C([2H])([2H])[2H].
What is the InChIKey of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is JNGIOYDKOVGWKK-CDEOAZEJSA-N. The full InChI is InChI=1S/C27H27F2N7O2/c1-15(2)35-12-16-19(32-35)6-7-20(24(16)34-13-22(30)27(14-34)10-11-27)31-26(38)21-8-9-23(37)36(33-21)25-17(28)4-3-5-18(25)29/h3-9,12,15,22H,10-11,13-14,30H2,1-2H3,(H,31,38)/t22-/m0/s1/i1D3,2D3.
What are the key properties of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 525.59 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 176511318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).