2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol

C24H31N7O2 — CID 58279479

IUPAC2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESC[C@H]1COCCN1c1nc(N2CCC(CCO)CC2)nc2nc(-c3ccc(N)nc3)ccc12
InChIInChI=1S/C24H31N7O2/c1-16-15-33-13-11-31(16)23-19-3-4-20(18-2-5-21(25)26-14-18)27-22(19)28-24(29-23)30-9-6-17(7-10-30)8-12-32/h2-5,14,16-17,32H,6-13,15H2,1H3,(H2,25,26)/t16-/m0/s1
InChIKeyOLOHFTITJXHDHI-INIZCTEOSA-N
MW449.56 g/mol
LogP2.49
Rot. Bonds5

About 2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol

2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol (PubChem CID 58279479) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol
PubChem CID58279479
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESC[C@H]1COCCN1c1nc(N2CCC(CCO)CC2)nc2nc(-c3ccc(N)nc3)ccc12
InChIInChI=1S/C24H31N7O2/c1-16-15-33-13-11-31(16)23-19-3-4-20(18-2-5-21(25)26-14-18)27-22(19)28-24(29-23)30-9-6-17(7-10-30)8-12-32/h2-5,14,16-17,32H,6-13,15H2,1H3,(H2,25,26)/t16-/m0/s1
InChIKeyOLOHFTITJXHDHI-INIZCTEOSA-N
XLogP2.49
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol (CID 58279479) is 2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol is C[C@H]1COCCN1c1nc(N2CCC(CCO)CC2)nc2nc(-c3ccc(N)nc3)ccc12.
What is the InChIKey of 2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol?
The InChIKey is OLOHFTITJXHDHI-INIZCTEOSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-16-15-33-13-11-31(16)23-19-3-4-20(18-2-5-21(25)26-14-18)27-22(19)28-24(29-23)30-9-6-17(7-10-30)8-12-32/h2-5,14,16-17,32H,6-13,15H2,1H3,(H2,25,26)/t16-/m0/s1.
What are the key properties of 2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol?
2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol has a molecular weight of 449.56 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 58279479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).