[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone

C22H21N7O2 — CID 53045960

IUPAC[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C22H21N7O2/c1-15-13-19(29-22(24-15)26-20(27-29)17-3-2-8-23-14-17)25-18-6-4-16(5-7-18)21(30)28-9-11-31-12-10-28/h2-8,13-14,25H,9-12H2,1H3
InChIKeyQGQKUJCJVIBHSP-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.71
Rot. Bonds4

About [4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone

[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 53045960) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is [4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID53045960
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C22H21N7O2/c1-15-13-19(29-22(24-15)26-20(27-29)17-3-2-8-23-14-17)25-18-6-4-16(5-7-18)21(30)28-9-11-31-12-10-28/h2-8,13-14,25H,9-12H2,1H3
InChIKeyQGQKUJCJVIBHSP-UHFFFAOYSA-N
XLogP2.71
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 53045981
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
[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl] 2-methylbenzoate
CID 53045823
[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl] 3-methylbenzoate
CID 53045827
3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide
CID 53046018
furan-2-yl-[4-[4-[[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]methanone
CID 22433766
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
(2-fluorophenyl)-[4-[4-[[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]methanone
CID 22433767
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
5-methyl-2-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 27186929
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 22431925

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 53045960) is [4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone is Cc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)n2nc(-c3cccnc3)nc2n1.
What is the InChIKey of [4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is QGQKUJCJVIBHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-15-13-19(29-22(24-15)26-20(27-29)17-3-2-8-23-14-17)25-18-6-4-16(5-7-18)21(30)28-9-11-31-12-10-28/h2-8,13-14,25H,9-12H2,1H3.
What are the key properties of [4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone?
[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 415.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53045960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).