N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide

C24H24N8O2 — CID 168799375

IUPACN-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3nc4ccc(-c5cn[nH]c5)c(C)n4n3)C2)cc1
InChIInChI=1S/C24H24N8O2/c1-3-22(33)27-18-6-4-16(5-7-18)23(34)31-11-10-19(14-31)28-24-29-21-9-8-20(15(2)32(21)30-24)17-12-25-26-13-17/h3-9,12-13,19H,1,10-11,14H2,2H3,(H,25,26)(H,27,33)(H,28,30)/t19-/m1/s1
InChIKeyIPLVVJAQBKWWMM-LJQANCHMSA-N
MW456.51 g/mol
LogP2.88
Rot. Bonds6

About N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide

N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 168799375) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
PubChem CID168799375
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC NameN-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3nc4ccc(-c5cn[nH]c5)c(C)n4n3)C2)cc1
InChIInChI=1S/C24H24N8O2/c1-3-22(33)27-18-6-4-16(5-7-18)23(34)31-11-10-19(14-31)28-24-29-21-9-8-20(15(2)32(21)30-24)17-12-25-26-13-17/h3-9,12-13,19H,1,10-11,14H2,2H3,(H,25,26)(H,27,33)(H,28,30)/t19-/m1/s1
InChIKeyIPLVVJAQBKWWMM-LJQANCHMSA-N
XLogP2.88
TPSA120.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide with MolForge

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Related Compounds

N-[4-[(3R)-3-[[5-morpholin-4-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 168799387
N-[4-[(3R)-3-[(5-methyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 152523570
N-[4-[(3R)-3-[(5-ethynyl-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 153314025
N-[4-[3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 153314257
N-[4-[(3R)-3-(quinazolin-2-ylamino)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 147721568
N-[4-[3-[[8-(1H-indol-3-yl)-3-methylimidazo[1,2-b]pyridazin-6-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 175313691
N-[4-[(3R)-3-[[8-(1H-indol-3-yl)-2-methylimidazo[1,2-b]pyridazin-6-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 163210199
N-[4-[(3R)-3-[[3-fluoro-8-(1H-indol-3-yl)imidazo[1,2-b]pyridazin-6-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 163210230
N-[4-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 153314247
N-[4-[(3R)-3-[(6-fluoroquinazolin-2-yl)amino]pyrrolidine-1-carbonyl]-2-methylphenyl]prop-2-enamide
CID 150887829
(E)-N-[4-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide
CID 147643448
[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
CID 166278548

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide (CID 168799375) is N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3nc4ccc(-c5cn[nH]c5)c(C)n4n3)C2)cc1.
What is the InChIKey of N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is IPLVVJAQBKWWMM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-3-22(33)27-18-6-4-16(5-7-18)23(34)31-11-10-19(14-31)28-24-29-21-9-8-20(15(2)32(21)30-24)17-12-25-26-13-17/h3-9,12-13,19H,1,10-11,14H2,2H3,(H,25,26)(H,27,33)(H,28,30)/t19-/m1/s1.
What are the key properties of N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide?
N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 456.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-[[5-methyl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 168799375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).