[2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C24H31N5O4 — CID 24998177

IUPAC[2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOCC(C)Nc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1
InChIInChI=1S/C24H31N5O4/c1-15(13-31-3)25-24-27-22-19(23(28-24)29-9-10-33-14-16(29)2)6-7-20(26-22)17-5-8-21(32-4)18(11-17)12-30/h5-8,11,15-16,30H,9-10,12-14H2,1-4H3,(H,25,26,27,28)/t15?,16-/m0/s1
InChIKeyWUWPSOSXPIEVLM-LYKKTTPLSA-N
MW453.54 g/mol
LogP2.86
Rot. Bonds8

About [2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 24998177) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is [2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID24998177
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name[2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOCC(C)Nc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1
InChIInChI=1S/C24H31N5O4/c1-15(13-31-3)25-24-27-22-19(23(28-24)29-9-10-33-14-16(29)2)6-7-20(26-22)17-5-8-21(32-4)18(11-17)12-30/h5-8,11,15-16,30H,9-10,12-14H2,1-4H3,(H,25,26,27,28)/t15?,16-/m0/s1
InChIKeyWUWPSOSXPIEVLM-LYKKTTPLSA-N
XLogP2.86
TPSA101.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 24998177) is [2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is COCC(C)Nc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1.
What is the InChIKey of [2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is WUWPSOSXPIEVLM-LYKKTTPLSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-15(13-31-3)25-24-27-22-19(23(28-24)29-9-10-33-14-16(29)2)6-7-20(26-22)17-5-8-21(32-4)18(11-17)12-30/h5-8,11,15-16,30H,9-10,12-14H2,1-4H3,(H,25,26,27,28)/t15?,16-/m0/s1.
What are the key properties of [2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 453.54 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 24998177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).