3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide

C18H23FN6O2 — CID 177160512

IUPAC3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C=O)c1nn(C)c2c(F)c(N3CC4(CNC4)C3)ccc12
InChIInChI=1S/C18H23FN6O2/c1-20-14(27)5-6-24(11-26)17-12-3-4-13(15(19)16(12)23(2)22-17)25-9-18(10-25)7-21-8-18/h3-4,11,21H,5-10H2,1-2H3,(H,20,27)
InChIKeySWTJJGBOIGDZDH-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.22
Rot. Bonds6

About 3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide

3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide (PubChem CID 177160512) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide
PubChem CID177160512
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C=O)c1nn(C)c2c(F)c(N3CC4(CNC4)C3)ccc12
InChIInChI=1S/C18H23FN6O2/c1-20-14(27)5-6-24(11-26)17-12-3-4-13(15(19)16(12)23(2)22-17)25-9-18(10-25)7-21-8-18/h3-4,11,21H,5-10H2,1-2H3,(H,20,27)
InChIKeySWTJJGBOIGDZDH-UHFFFAOYSA-N
XLogP0.22
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-N-formyl-2-methylanilino]-N-methylpropanamide;2,2,2-trifluoroacetic acid
CID 177197431
2-[3,3-difluoro-4-[5-fluoro-3-[formyl-[3-(methylamino)-3-oxopropyl]amino]-1-methylindazol-6-yl]piperidin-1-yl]acetic acid
CID 166168025
3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide
CID 178004506
4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide
CID 172569732
3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide
CID 176559593
4-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide;ethane
CID 170978871
1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 162725457
1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea
CID 162725760
tert-butyl N-[4-[4-[[4-[3-[formyl-[3-(methylamino)-3-oxopropyl]amino]-1-methylindazol-6-yl]piperazin-1-yl]methyl]cyclohexyl]phenyl]carbamate;ethane
CID 177318433
3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene
CID 156707077
4-[4-[4-(azetidin-3-yl)piperazin-1-yl]-7-fluoro-3-methyl-2-oxobenzimidazol-1-yl]-N-methyl-5-oxopentanamide
CID 178005458
3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide
CID 163400362

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide?
The IUPAC name of 3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide (CID 177160512) is 3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide is CNC(=O)CCN(C=O)c1nn(C)c2c(F)c(N3CC4(CNC4)C3)ccc12.
What is the InChIKey of 3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide?
The InChIKey is SWTJJGBOIGDZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O2/c1-20-14(27)5-6-24(11-26)17-12-3-4-13(15(19)16(12)23(2)22-17)25-9-18(10-25)7-21-8-18/h3-4,11,21H,5-10H2,1-2H3,(H,20,27).
What are the key properties of 3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide?
3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide has a molecular weight of 374.42 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide is sourced from PubChem (CID 177160512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).