methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate

C25H29N5O4 — CID 59703412

IUPACmethyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C25H29N5O4/c1-16-14-33-11-9-29(16)23-20-7-8-21(18-5-4-6-19(13-18)24(31)32-3)26-22(20)27-25(28-23)30-10-12-34-15-17(30)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyBKQIPNIYJKPTPT-IRXDYDNUSA-N
MW463.54 g/mol
LogP2.93
Rot. Bonds4

About methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate

methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate (PubChem CID 59703412) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate
PubChem CID59703412
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Namemethyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C25H29N5O4/c1-16-14-33-11-9-29(16)23-20-7-8-21(18-5-4-6-19(13-18)24(31)32-3)26-22(20)27-25(28-23)30-10-12-34-15-17(30)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyBKQIPNIYJKPTPT-IRXDYDNUSA-N
XLogP2.93
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate with MolForge

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Related Compounds

Vistusertib
CID 25262792
Ethyl 5-amino-6,7,8,9-tetrahydro-2-methyl-4-phenylbenzo(1,8)naphthyridine-3-carboxylate
CID 6918662
Mti-31
CID 118591386
Ethyl 5-Amino-2-methyl-6,7,8,9-tetrahydrobenzo(b)(1,8)naphthyridine-3-carboxylate
CID 46861819
3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-6-yl]-benzoic acid methyl ester
CID 10157755
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide
CID 25262336
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide
CID 25262627
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide
CID 57441946
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxybenzamide
CID 57442010
3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 71250872
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxybenzoic acid
CID 57442009
3-[2,4-Bis((3S)-3-methyLmorpholin-4-yl)pyrido-[5,6-e]pyrimidin-7-yl]-N-methylbenzamide
CID 44200550

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate?
The IUPAC name of methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate (CID 59703412) is methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate.
What is the SMILES notation for methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate?
The canonical SMILES for methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate is COC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1.
What is the InChIKey of methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate?
The InChIKey is BKQIPNIYJKPTPT-IRXDYDNUSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-16-14-33-11-9-29(16)23-20-7-8-21(18-5-4-6-19(13-18)24(31)32-3)26-22(20)27-25(28-23)30-10-12-34-15-17(30)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate?
methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate has a molecular weight of 463.54 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate is sourced from PubChem (CID 59703412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).