N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

C32H29N7O4 — CID 171500407

IUPACN-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3)cc3cnc(Nc4ccc(N5CCOCC5)nc4OC)nc32)c1
InChIInChI=1S/C32H29N7O4/c1-3-28(40)34-23-10-7-11-24(19-23)39-29-22(18-25(31(39)41)21-8-5-4-6-9-21)20-33-32(37-29)35-26-12-13-27(36-30(26)42-2)38-14-16-43-17-15-38/h3-13,18-20H,1,14-17H2,2H3,(H,34,40)(H,33,35,37)
InChIKeyHHPSRXHWBXZTKI-UHFFFAOYSA-N
MW575.63 g/mol
LogP4.56
Rot. Bonds8

About N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide (PubChem CID 171500407) has the molecular formula C32H29N7O4 and a molecular weight of 575.63 g/mol. Its IUPAC name is N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
PubChem CID171500407
Molecular FormulaC32H29N7O4
Molecular Weight575.63 g/mol
Exact Mass575.23
IUPAC NameN-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3)cc3cnc(Nc4ccc(N5CCOCC5)nc4OC)nc32)c1
InChIInChI=1S/C32H29N7O4/c1-3-28(40)34-23-10-7-11-24(19-23)39-29-22(18-25(31(39)41)21-8-5-4-6-9-21)20-33-32(37-29)35-26-12-13-27(36-30(26)42-2)38-14-16-43-17-15-38/h3-13,18-20H,1,14-17H2,2H3,(H,34,40)(H,33,35,37)
InChIKeyHHPSRXHWBXZTKI-UHFFFAOYSA-N
XLogP4.56
TPSA123.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.63
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-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

N-[3-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-oxo-5-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
CID 122205448
N-[3-[5-anilino-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 118361754
N-[3-[5-anilino-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]prop-2-enamide
CID 118361750
N-[3-[[2-[[6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-methoxy-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 135267923
ethane;N-[3-[[2-[(2-methoxy-6-piperazin-1-yl-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145279179
N-[3-[7-fluoro-2-(2-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide
CID 175010983
N-[3-[6-benzyl-2-[(3-chloro-1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
CID 171500357
N-[3-[[2-[[6-(4-cyclopropylsulfonylpiperazin-1-yl)-2-methoxy-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 135267908
N-[3-[2-(2,3-difluoro-4-morpholin-4-ylanilino)imidazo[1,5-a][1,3,5]triazin-8-yl]phenyl]prop-2-enamide
CID 122475663
ethane;[2-[4-[6-methoxy-5-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] acetate
CID 145279159
N-[3-[[2-[[6-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-methoxy-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;ethane
CID 145279129
N-[3-[2-(4-morpholin-4-ylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]prop-2-enamide
CID 122616667

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide (CID 171500407) is N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3)cc3cnc(Nc4ccc(N5CCOCC5)nc4OC)nc32)c1.
What is the InChIKey of N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide?
The InChIKey is HHPSRXHWBXZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7O4/c1-3-28(40)34-23-10-7-11-24(19-23)39-29-22(18-25(31(39)41)21-8-5-4-6-9-21)20-33-32(37-29)35-26-12-13-27(36-30(26)42-2)38-14-16-43-17-15-38/h3-13,18-20H,1,14-17H2,2H3,(H,34,40)(H,33,35,37).
What are the key properties of N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide?
N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide has a molecular weight of 575.63 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2-methoxy-6-morpholin-4-yl-3-pyridinyl)amino]-7-oxo-6-phenylpyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 171500407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).