N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C26H26FN5O2 — CID 156748977

IUPACN-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC(NCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1)C12CC(F)(C1)C2
InChIInChI=1S/C26H26FN5O2/c1-16(25-13-26(27,14-25)15-25)28-12-19-9-18-6-5-17(8-20(18)30-19)11-29-24(34)21-10-23(33)32-7-3-2-4-22(32)31-21/h2-10,16,28,30H,11-15H2,1H3,(H,29,34)
InChIKeyYUORQJPNKZSTOG-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.48
Rot. Bonds7

About N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 156748977) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID156748977
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC NameN-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC(NCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1)C12CC(F)(C1)C2
InChIInChI=1S/C26H26FN5O2/c1-16(25-13-26(27,14-25)15-25)28-12-19-9-18-6-5-17(8-20(18)30-19)11-29-24(34)21-10-23(33)32-7-3-2-4-22(32)31-21/h2-10,16,28,30H,11-15H2,1H3,(H,29,34)
InChIKeyYUORQJPNKZSTOG-UHFFFAOYSA-N
XLogP3.48
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 156442379
N-(1H-Indol-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9931673
US11725010, Example 125
CID 156442168
US11725010, Example 41
CID 156461952
Mettl3-IN-1
CID 156748880
US11725010, Example 102
CID 156748909
1-[(3,4-difluorophenyl)methyl]-2-[(2,6-dimethyl-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-one
CID 134290905
US11725010, Example 6
CID 156442197
US11725010, Example 121
CID 156442198
US11725010, Example 4
CID 156442205
US11725010, Example 70
CID 156442214
US11725010, Example 45
CID 156442358

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 156748977) is N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CC(NCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1)C12CC(F)(C1)C2.
What is the InChIKey of N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is YUORQJPNKZSTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-16(25-13-26(27,14-25)15-25)28-12-19-9-18-6-5-17(8-20(18)30-19)11-29-24(34)21-10-23(33)32-7-3-2-4-22(32)31-21/h2-10,16,28,30H,11-15H2,1H3,(H,29,34).
What are the key properties of N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 156748977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).