7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile

C20H19N5O3 — CID 71250848

IUPAC7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(C#N)nc3n2)cc1CO
InChIInChI=1S/C20H19N5O3/c1-27-17-5-2-13(10-14(17)12-26)16-4-3-15-19(22-16)23-18(11-21)24-20(15)25-6-8-28-9-7-25/h2-5,10,26H,6-9,12H2,1H3
InChIKeyYORDELGQXBGIHM-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.90
Rot. Bonds4

About 7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile

7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile (PubChem CID 71250848) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile
PubChem CID71250848
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(C#N)nc3n2)cc1CO
InChIInChI=1S/C20H19N5O3/c1-27-17-5-2-13(10-14(17)12-26)16-4-3-15-19(22-16)23-18(11-21)24-20(15)25-6-8-28-9-7-25/h2-5,10,26H,6-9,12H2,1H3
InChIKeyYORDELGQXBGIHM-UHFFFAOYSA-N
XLogP1.90
TPSA104.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile?
The IUPAC name of 7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile (CID 71250848) is 7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile.
What is the SMILES notation for 7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile?
The canonical SMILES for 7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile is COc1ccc(-c2ccc3c(N4CCOCC4)nc(C#N)nc3n2)cc1CO.
What is the InChIKey of 7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile?
The InChIKey is YORDELGQXBGIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-27-17-5-2-13(10-14(17)12-26)16-4-3-15-19(22-16)23-18(11-21)24-20(15)25-6-8-28-9-7-25/h2-5,10,26H,6-9,12H2,1H3.
What are the key properties of 7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile?
7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile has a molecular weight of 377.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 71250848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).