N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C21H26FN5O2 — CID 166375252

IUPACN-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESN#CC1CC(C(=O)N2[C@H]3CC[C@@H]2[C@@H](F)[C@H](NC(=O)C2CCc4[nH]ncc4C2)C3)C1
InChIInChI=1S/C21H26FN5O2/c22-19-17(25-20(28)12-1-3-16-14(7-12)10-24-26-16)8-15-2-4-18(19)27(15)21(29)13-5-11(6-13)9-23/h10-13,15,17-19H,1-8H2,(H,24,26)(H,25,28)/t11?,12?,13?,15-,17+,18+,19-/m0/s1
InChIKeyOIDAMVGUDXCXIS-NBBWJJINSA-N
MW399.47 g/mol
LogP1.65
Rot. Bonds3

About N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 166375252) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID166375252
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC NameN-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESN#CC1CC(C(=O)N2[C@H]3CC[C@@H]2[C@@H](F)[C@H](NC(=O)C2CCc4[nH]ncc4C2)C3)C1
InChIInChI=1S/C21H26FN5O2/c22-19-17(25-20(28)12-1-3-16-14(7-12)10-24-26-16)8-15-2-4-18(19)27(15)21(29)13-5-11(6-13)9-23/h10-13,15,17-19H,1-8H2,(H,24,26)(H,25,28)/t11?,12?,13?,15-,17+,18+,19-/m0/s1
InChIKeyOIDAMVGUDXCXIS-NBBWJJINSA-N
XLogP1.65
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-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,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 166375252) is N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is N#CC1CC(C(=O)N2[C@H]3CC[C@@H]2[C@@H](F)[C@H](NC(=O)C2CCc4[nH]ncc4C2)C3)C1.
What is the InChIKey of N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is OIDAMVGUDXCXIS-NBBWJJINSA-N. The full InChI is InChI=1S/C21H26FN5O2/c22-19-17(25-20(28)12-1-3-16-14(7-12)10-24-26-16)8-15-2-4-18(19)27(15)21(29)13-5-11(6-13)9-23/h10-13,15,17-19H,1-8H2,(H,24,26)(H,25,28)/t11?,12?,13?,15-,17+,18+,19-/m0/s1.
What are the key properties of N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 166375252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).