2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine

C26H35N7O3 — CID 57442003

IUPAC2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OCCN(C)C)nc3)nc2n1
InChIInChI=1S/C26H35N7O3/c1-18-16-34-12-10-32(18)25-21-6-7-22(20-5-8-23(27-15-20)36-14-9-31(3)4)28-24(21)29-26(30-25)33-11-13-35-17-19(33)2/h5-8,15,18-19H,9-14,16-17H2,1-4H3/t18-,19-/m0/s1
InChIKeyZPMAATPXKFIZRL-OALUTQOASA-N
MW493.61 g/mol
LogP2.48
Rot. Bonds7

About 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine

2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine (PubChem CID 57442003) has the molecular formula C26H35N7O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine
PubChem CID57442003
Molecular FormulaC26H35N7O3
Molecular Weight493.61 g/mol
Exact Mass493.28
IUPAC Name2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OCCN(C)C)nc3)nc2n1
InChIInChI=1S/C26H35N7O3/c1-18-16-34-12-10-32(18)25-21-6-7-22(20-5-8-23(27-15-20)36-14-9-31(3)4)28-24(21)29-26(30-25)33-11-13-35-17-19(33)2/h5-8,15,18-19H,9-14,16-17H2,1-4H3/t18-,19-/m0/s1
InChIKeyZPMAATPXKFIZRL-OALUTQOASA-N
XLogP2.48
TPSA88.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine (CID 57442003) is 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OCCN(C)C)nc3)nc2n1.
What is the InChIKey of 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The InChIKey is ZPMAATPXKFIZRL-OALUTQOASA-N. The full InChI is InChI=1S/C26H35N7O3/c1-18-16-34-12-10-32(18)25-21-6-7-22(20-5-8-23(27-15-20)36-14-9-31(3)4)28-24(21)29-26(30-25)33-11-13-35-17-19(33)2/h5-8,15,18-19H,9-14,16-17H2,1-4H3/t18-,19-/m0/s1.
What are the key properties of 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine has a molecular weight of 493.61 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 57442003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).