methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate

C23H21N5O2 — CID 10157755

IUPACmethyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate
SMILESCOC(=O)c1cccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H21N5O2/c1-28(2)17-9-7-14(8-10-17)20-18(12-19-21(24)25-13-26-22(19)27-20)15-5-4-6-16(11-15)23(29)30-3/h4-13H,1-3H3,(H2,24,25,26,27)
InChIKeyYQRGMPPHNXHQSV-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.79
Rot. Bonds4

About methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate

methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate (PubChem CID 10157755) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate
PubChem CID10157755
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Namemethyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate
SMILESCOC(=O)c1cccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H21N5O2/c1-28(2)17-9-7-14(8-10-17)20-18(12-19-21(24)25-13-26-22(19)27-20)15-5-4-6-16(11-15)23(29)30-3/h4-13H,1-3H3,(H2,24,25,26,27)
InChIKeyYQRGMPPHNXHQSV-UHFFFAOYSA-N
XLogP3.79
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate with MolForge

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Related Compounds

Ethyl 5-amino-6,7,8,9-tetrahydro-2-methyl-4-phenylbenzo(1,8)naphthyridine-3-carboxylate
CID 6918662
Methyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
CID 1418188
3-(2-Pyridin-3-yl-quinazolin-4-ylamino)-benzoic acid methyl ester
CID 1186125
Ethyl 4-((2-(pyridin-3-yl)quinazolin-4-yl)amino)benzoate
CID 1186128
(2,4-Diaminoquinazolin-6-yl)methyl benzoate
CID 487402
ethyl 4-(3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxopyridin-1(2H)-yl)benzoate
CID 24879244
3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-5-yl]-benzamide
CID 44381459
Methyl 2-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoate
CID 45486361
(2,4-Diamino-5-methylpyridino[2,3-d]pyrimidin-6-yl)methyl benzoate
CID 487404
Ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate
CID 721015
Methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
Propyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate
CID 1563678

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate?
The IUPAC name of methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate (CID 10157755) is methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate.
What is the SMILES notation for methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate?
The canonical SMILES for methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate is COC(=O)c1cccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate?
The InChIKey is YQRGMPPHNXHQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-28(2)17-9-7-14(8-10-17)20-18(12-19-21(24)25-13-26-22(19)27-20)15-5-4-6-16(11-15)23(29)30-3/h4-13H,1-3H3,(H2,24,25,26,27).
What are the key properties of methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate?
methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate has a molecular weight of 399.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-amino-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-6-yl]benzoate is sourced from PubChem (CID 10157755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).