3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide

C27H26FN7O2 — CID 148507329

IUPAC3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(F)c(-c2ccc(N)c(C(=O)Cc3cnccc3-c3cc(N)nc(C)n3)n2)c1
InChIInChI=1S/C27H26FN7O2/c1-3-9-32-27(37)16-4-5-20(28)19(11-16)22-7-6-21(29)26(35-22)24(36)12-17-14-31-10-8-18(17)23-13-25(30)34-15(2)33-23/h4-8,10-11,13-14H,3,9,12,29H2,1-2H3,(H,32,37)(H2,30,33,34)
InChIKeyMLVALIKAUZHXOB-UHFFFAOYSA-N
MW499.55 g/mol
LogP3.78
Rot. Bonds8

About 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide

3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide (PubChem CID 148507329) has the molecular formula C27H26FN7O2 and a molecular weight of 499.55 g/mol. Its IUPAC name is 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound Name3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide
PubChem CID148507329
Molecular FormulaC27H26FN7O2
Molecular Weight499.55 g/mol
Exact Mass499.21
IUPAC Name3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(F)c(-c2ccc(N)c(C(=O)Cc3cnccc3-c3cc(N)nc(C)n3)n2)c1
InChIInChI=1S/C27H26FN7O2/c1-3-9-32-27(37)16-4-5-20(28)19(11-16)22-7-6-21(29)26(35-22)24(36)12-17-14-31-10-8-18(17)23-13-25(30)34-15(2)33-23/h4-8,10-11,13-14H,3,9,12,29H2,1-2H3,(H,32,37)(H2,30,33,34)
InChIKeyMLVALIKAUZHXOB-UHFFFAOYSA-N
XLogP3.78
TPSA149.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide
CID 162012880
2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
CID 152990805
1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-(6-aminopyrimidin-4-yl)-3-pyridinyl]ethanone
CID 158170019
3-[5-amino-6-[2-[4-[(3S,5S)-3-amino-5-hydroxypiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide
CID 158185517
3-[5-amino-6-[2-[4-(3-amino-4-methoxypiperidin-1-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide
CID 158526706
1-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-2-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]ethanone
CID 161041035
N-[4-[3-[2-(3-amino-6-bromo-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-pyridinyl]-6-methylpyrimidin-2-yl]-methylboronamidic acid
CID 159878133
1-[3-amino-6-(2-fluoro-5-propoxyphenyl)-2-pyridinyl]-2-[4-[(1R,3R,4S)-3-amino-4-hydroxycyclohexyl]-3-pyridinyl]ethanone
CID 147143078
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
4-fluoro-3-hydroxy-N-propylbenzamide
CID 130057564
4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 61248489
4-fluoro-N-propyl-3-sulfanylbenzamide
CID 107019371

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide?
The IUPAC name of 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide (CID 148507329) is 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide.
What is the SMILES notation for 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide?
The canonical SMILES for 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide is CCCNC(=O)c1ccc(F)c(-c2ccc(N)c(C(=O)Cc3cnccc3-c3cc(N)nc(C)n3)n2)c1.
What is the InChIKey of 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide?
The InChIKey is MLVALIKAUZHXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O2/c1-3-9-32-27(37)16-4-5-20(28)19(11-16)22-7-6-21(29)26(35-22)24(36)12-17-14-31-10-8-18(17)23-13-25(30)34-15(2)33-23/h4-8,10-11,13-14H,3,9,12,29H2,1-2H3,(H,32,37)(H2,30,33,34).
What are the key properties of 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide?
3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide has a molecular weight of 499.55 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 148507329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).