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

C22H29N5O4 — CID 70302034

IUPAC[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(C3C=COC3CO)nc2n1
InChIInChI=1S/C22H29N5O4/c1-14-12-29-9-6-26(14)21-17-3-4-18(16-5-8-31-19(16)11-28)23-20(17)24-22(25-21)27-7-10-30-13-15(27)2/h3-5,8,14-16,19,28H,6-7,9-13H2,1-2H3/t14-,15-,16?,19?/m0/s1
InChIKeyJHVSBJGCLTXMEJ-RXDZZFBJSA-N
MW427.51 g/mol
LogP1.46
Rot. Bonds4

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

[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol (PubChem CID 70302034) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol.

Molecular Properties

Compound Name[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol
PubChem CID70302034
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(C3C=COC3CO)nc2n1
InChIInChI=1S/C22H29N5O4/c1-14-12-29-9-6-26(14)21-17-3-4-18(16-5-8-31-19(16)11-28)23-20(17)24-22(25-21)27-7-10-30-13-15(27)2/h3-5,8,14-16,19,28H,6-7,9-13H2,1-2H3/t14-,15-,16?,19?/m0/s1
InChIKeyJHVSBJGCLTXMEJ-RXDZZFBJSA-N
XLogP1.46
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703371
(3S)-4-[7-(4-fluorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441858
2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol
CID 57441957
(3S)-4-[7-(1H-indol-5-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441883
(3S)-4-[7-(furan-3-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441887
N-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylacetamide
CID 57441985
3-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
CID 76539908
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine
CID 57441989
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-carbaldehyde
CID 59703384
(3S)-4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703467
4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 66673591
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 25000369

Frequently Asked Questions

What is the IUPAC name of [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol?
The IUPAC name of [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol (CID 70302034) is [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol.
What is the SMILES notation for [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol?
The canonical SMILES for [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(C3C=COC3CO)nc2n1.
What is the InChIKey of [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol?
The InChIKey is JHVSBJGCLTXMEJ-RXDZZFBJSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-14-12-29-9-6-26(14)21-17-3-4-18(16-5-8-31-19(16)11-28)23-20(17)24-22(25-21)27-7-10-30-13-15(27)2/h3-5,8,14-16,19,28H,6-7,9-13H2,1-2H3/t14-,15-,16?,19?/m0/s1.
What are the key properties of [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol?
[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol has a molecular weight of 427.51 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2,3-dihydrofuran-2-yl]methanol is sourced from PubChem (CID 70302034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).