3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide

C26H32N6O — CID 170599119

IUPAC3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide
SMILESCC(C)=CC(=O)Nc1cccc(CNc2cc(C3=CCNCC3)nc3c(C(C)C)cnn23)c1
InChIInChI=1S/C26H32N6O/c1-17(2)12-25(33)30-21-7-5-6-19(13-21)15-28-24-14-23(20-8-10-27-11-9-20)31-26-22(18(3)4)16-29-32(24)26/h5-8,12-14,16,18,27-28H,9-11,15H2,1-4H3,(H,30,33)
InChIKeyLCUGFYKSPIGZOA-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.75
Rot. Bonds7

About 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide

3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide (PubChem CID 170599119) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide
PubChem CID170599119
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide
SMILESCC(C)=CC(=O)Nc1cccc(CNc2cc(C3=CCNCC3)nc3c(C(C)C)cnn23)c1
InChIInChI=1S/C26H32N6O/c1-17(2)12-25(33)30-21-7-5-6-19(13-21)15-28-24-14-23(20-8-10-27-11-9-20)31-26-22(18(3)4)16-29-32(24)26/h5-8,12-14,16,18,27-28H,9-11,15H2,1-4H3,(H,30,33)
InChIKeyLCUGFYKSPIGZOA-UHFFFAOYSA-N
XLogP4.75
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[3-[[[5-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-2-methylbut-2-enamide
CID 170358283
2-chloro-N-[3-[[[5-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]acetamide
CID 170358267
(E)-N-[3-[[[5-[[(3R)-6,6-dimethylpiperidin-3-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide
CID 170599160
1-[7-[(3-nitrophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 170358091
tert-butyl N-[5-(2,5-dihydropyridin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]carbamate
CID 175980204
N-[3-[[[2-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 170599228
N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]pyrrolidine-3-carboxamide
CID 122517813
tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[[3-(3-methylbut-2-enoylamino)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 170599102
4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 123541941
N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
CID 43601289
N-[3-[(5-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]prop-2-enamide
CID 145163977
N-[3-[[[2-(oxan-4-ylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]-2-(prop-2-enoylamino)benzamide
CID 122517746

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide (CID 170599119) is 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide is CC(C)=CC(=O)Nc1cccc(CNc2cc(C3=CCNCC3)nc3c(C(C)C)cnn23)c1.
What is the InChIKey of 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide?
The InChIKey is LCUGFYKSPIGZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-17(2)12-25(33)30-21-7-5-6-19(13-21)15-28-24-14-23(20-8-10-27-11-9-20)31-26-22(18(3)4)16-29-32(24)26/h5-8,12-14,16,18,27-28H,9-11,15H2,1-4H3,(H,30,33).
What are the key properties of 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide?
3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide has a molecular weight of 444.58 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[[[3-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide is sourced from PubChem (CID 170599119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).