(3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol

C24H29N5O4 — CID 24998808

IUPAC(3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CC[C@@H](O)C4)nc3n2)cc1CO
InChIInChI=1S/C24H29N5O4/c1-15-14-33-10-9-29(15)23-19-4-5-20(16-3-6-21(32-2)17(11-16)13-30)25-22(19)26-24(27-23)28-8-7-18(31)12-28/h3-6,11,15,18,30-31H,7-10,12-14H2,1-2H3/t15-,18+/m0/s1
InChIKeyYWECXUGQEWHRCD-MAUKXSAKSA-N
MW451.53 g/mol
LogP1.99
Rot. Bonds5

About (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol

(3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 24998808) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID24998808
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name(3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CC[C@@H](O)C4)nc3n2)cc1CO
InChIInChI=1S/C24H29N5O4/c1-15-14-33-10-9-29(15)23-19-4-5-20(16-3-6-21(32-2)17(11-16)13-30)25-22(19)26-24(27-23)28-8-7-18(31)12-28/h3-6,11,15,18,30-31H,7-10,12-14H2,1-2H3/t15-,18+/m0/s1
InChIKeyYWECXUGQEWHRCD-MAUKXSAKSA-N
XLogP1.99
TPSA104.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol (CID 24998808) is (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CC[C@@H](O)C4)nc3n2)cc1CO.
What is the InChIKey of (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is YWECXUGQEWHRCD-MAUKXSAKSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-15-14-33-10-9-29(15)23-19-4-5-20(16-3-6-21(32-2)17(11-16)13-30)25-22(19)26-24(27-23)28-8-7-18(31)12-28/h3-6,11,15,18,30-31H,7-10,12-14H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol?
(3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 451.53 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 24998808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).