N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide

C24H24ClN7O2 — CID 73291995

IUPACN-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)c(OC)cc1CN(C)C
InChIInChI=1S/C24H24ClN7O2/c1-5-22(33)28-17-11-18(20(34-4)10-15(17)14-31(2)3)29-24-27-12-16(25)23(30-24)19-13-26-21-8-6-7-9-32(19)21/h5-13H,1,14H2,2-4H3,(H,28,33)(H,27,29,30)
InChIKeyFQSPBIPARXPNGX-UHFFFAOYSA-N
MW477.96 g/mol
LogP4.38
Rot. Bonds8

About N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide

N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide (PubChem CID 73291995) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide
PubChem CID73291995
Molecular FormulaC24H24ClN7O2
Molecular Weight477.96 g/mol
Exact Mass477.17
IUPAC NameN-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)c(OC)cc1CN(C)C
InChIInChI=1S/C24H24ClN7O2/c1-5-22(33)28-17-11-18(20(34-4)10-15(17)14-31(2)3)29-24-27-12-16(25)23(30-24)19-13-26-21-8-6-7-9-32(19)21/h5-13H,1,14H2,2-4H3,(H,28,33)(H,27,29,30)
InChIKeyFQSPBIPARXPNGX-UHFFFAOYSA-N
XLogP4.38
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide
CID 45381642
2-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methylamino]ethanol
CID 68593290
1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
CID 68594167
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 45381799
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propanamide
CID 91082116
[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 59291061
N-[2-(2-aminoethyl)-5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 89182819
N-[5-[[5-chloro-4-[6-(methylamino)-3-pyridinyl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 130205901
1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol
CID 68608177
methyl 2-[4-[3-(dimethylamino)propyl]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1H-indol-3-yl)pyrimidine-5-carboxylate
CID 155176447
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 68593342

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide?
The IUPAC name of N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide (CID 73291995) is N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide?
The canonical SMILES for N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)c(OC)cc1CN(C)C.
What is the InChIKey of N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide?
The InChIKey is FQSPBIPARXPNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c1-5-22(33)28-17-11-18(20(34-4)10-15(17)14-31(2)3)29-24-27-12-16(25)23(30-24)19-13-26-21-8-6-7-9-32(19)21/h5-13H,1,14H2,2-4H3,(H,28,33)(H,27,29,30).
What are the key properties of N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide?
N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 477.96 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 73291995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).