ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol

C24H28N6O3 — CID 168922531

IUPACethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
SMILESCC.COc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4ncc(CO)cc4n3)c2)c1
InChIInChI=1S/C22H22N6O3.C2H6/c1-30-18-4-2-3-16(10-18)17-12-24-28(13-17)22-25-19-9-15(14-29)11-23-20(19)21(26-22)27-5-7-31-8-6-27;1-2/h2-4,9-13,29H,5-8,14H2,1H3;1-2H3
InChIKeyGRYPBEVTWNQQHX-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.24
Rot. Bonds5

About ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol

ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol (PubChem CID 168922531) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol.

Molecular Properties

Compound Nameethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
PubChem CID168922531
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Nameethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
SMILESCC.COc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4ncc(CO)cc4n3)c2)c1
InChIInChI=1S/C22H22N6O3.C2H6/c1-30-18-4-2-3-16(10-18)17-12-24-28(13-17)22-25-19-9-15(14-29)11-23-20(19)21(26-22)27-5-7-31-8-6-27;1-2/h2-4,9-13,29H,5-8,14H2,1H3;1-2H3
InChIKeyGRYPBEVTWNQQHX-UHFFFAOYSA-N
XLogP3.24
TPSA98.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine
CID 166738469
4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922463
2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine
CID 166164425
3-[7-(aminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994380
9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid
CID 168920778
2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde
CID 118243094
6-[(3E)-2-methylhepta-1,3-dien-4-yl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 166164813
N-methyl-1-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 118243086
4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 166164372
4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738354
N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738424

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
The IUPAC name of ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol (CID 168922531) is ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol.
What is the SMILES notation for ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
The canonical SMILES for ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol is CC.COc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4ncc(CO)cc4n3)c2)c1.
What is the InChIKey of ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
The InChIKey is GRYPBEVTWNQQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3.C2H6/c1-30-18-4-2-3-16(10-18)17-12-24-28(13-17)22-25-19-9-15(14-29)11-23-20(19)21(26-22)27-5-7-31-8-6-27;1-2/h2-4,9-13,29H,5-8,14H2,1H3;1-2H3.
What are the key properties of ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol?
ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol has a molecular weight of 448.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol is sourced from PubChem (CID 168922531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).