N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

C20H18FN7O — CID 53045793

IUPACN-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)Nc2cccc(F)c2)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C20H18FN7O/c1-13-10-17(23-9-7-18(29)25-16-6-2-5-15(21)11-16)28-20(24-13)26-19(27-28)14-4-3-8-22-12-14/h2-6,8,10-12,23H,7,9H2,1H3,(H,25,29)
InChIKeyPFMLVGRHPIPMTJ-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.07
Rot. Bonds6

About N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (PubChem CID 53045793) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
PubChem CID53045793
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC NameN-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)Nc2cccc(F)c2)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C20H18FN7O/c1-13-10-17(23-9-7-18(29)25-16-6-2-5-15(21)11-16)28-20(24-13)26-19(27-28)14-4-3-8-22-12-14/h2-6,8,10-12,23H,7,9H2,1H3,(H,25,29)
InChIKeyPFMLVGRHPIPMTJ-UHFFFAOYSA-N
XLogP3.07
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 53045799
3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide
CID 53046018
N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575553
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone
CID 52998556
N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 53045967
N-[4-(dimethylamino)phenyl]-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 53045966
5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 52998550
[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl] 3-methylbenzoate
CID 53045827
7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167755807
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1071824
[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 53045960

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (CID 53045793) is N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is Cc1cc(NCCC(=O)Nc2cccc(F)c2)n2nc(-c3cccnc3)nc2n1.
What is the InChIKey of N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The InChIKey is PFMLVGRHPIPMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-13-10-17(23-9-7-18(29)25-16-6-2-5-15(21)11-16)28-20(24-13)26-19(27-28)14-4-3-8-22-12-14/h2-6,8,10-12,23H,7,9H2,1H3,(H,25,29).
What are the key properties of N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide has a molecular weight of 391.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is sourced from PubChem (CID 53045793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).