N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C25H24FN5O2 — CID 166060827

IUPACN-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc2cc(CN3CC4(CC(F)C4)C3)[nH]c2c1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C25H24FN5O2/c26-18-10-25(11-18)14-30(15-25)13-19-8-17-5-4-16(7-20(17)28-19)12-27-24(33)21-9-23(32)31-6-2-1-3-22(31)29-21/h1-9,18,28H,10-15H2,(H,27,33)
InChIKeyWFTDFQPVKNRZGU-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.04
Rot. Bonds5

About N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 166060827) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID166060827
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc2cc(CN3CC4(CC(F)C4)C3)[nH]c2c1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C25H24FN5O2/c26-18-10-25(11-18)14-30(15-25)13-19-8-17-5-4-16(7-20(17)28-19)12-27-24(33)21-9-23(32)31-6-2-1-3-22(31)29-21/h1-9,18,28H,10-15H2,(H,27,33)
InChIKeyWFTDFQPVKNRZGU-UHFFFAOYSA-N
XLogP3.04
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 156748917
N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 175384488
N-[[2-[[[(1S,2S,5S)-2-hydroxy-1,5-dimethylcyclohex-3-en-1-yl]methylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 156748894
N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 166154078
N-[3-(4-fluorophenyl)-2-oxopropyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 141384233
N-[[6-[[(2,2-dimethylcyclopropyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167361
N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167642
6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole
CID 170951262
N-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167590
4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167703
N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167659
N-[[6-(2-anilino-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 162715461

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 166060827) is N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1ccc2cc(CN3CC4(CC(F)C4)C3)[nH]c2c1)c1cc(=O)n2ccccc2n1.
What is the InChIKey of N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is WFTDFQPVKNRZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-18-10-25(11-18)14-30(15-25)13-19-8-17-5-4-16(7-20(17)28-19)12-27-24(33)21-9-23(32)31-6-2-1-3-22(31)29-21/h1-9,18,28H,10-15H2,(H,27,33).
What are the key properties of N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166060827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).