4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid

C22H20N6O4 — CID 59789728

IUPAC4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1cccc(O)c1
InChIInChI=1S/C22H20N6O4/c29-16-3-1-2-13(11-16)19-18(21(30)31)20(26-22(25-19)28-6-8-32-9-7-28)24-15-4-5-17-14(10-15)12-23-27-17/h1-5,10-12,29H,6-9H2,(H,23,27)(H,30,31)(H,24,25,26)
InChIKeyMWRHPIPTXCOFEL-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.00
Rot. Bonds5

About 4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid

4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 59789728) has the molecular formula C22H20N6O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid
PubChem CID59789728
Molecular FormulaC22H20N6O4
Molecular Weight432.44 g/mol
Exact Mass432.15
IUPAC Name4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1cccc(O)c1
InChIInChI=1S/C22H20N6O4/c29-16-3-1-2-13(11-16)19-18(21(30)31)20(26-22(25-19)28-6-8-32-9-7-28)24-15-4-5-17-14(10-15)12-23-27-17/h1-5,10-12,29H,6-9H2,(H,23,27)(H,30,31)(H,24,25,26)
InChIKeyMWRHPIPTXCOFEL-UHFFFAOYSA-N
XLogP3.00
TPSA136.49 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 59789672
4-[3-(4-tert-butylphenoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 59789741
[4-[3-(4-tert-butylphenoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidin-5-yl] hydrogen carbonate
CID 67421540
N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
N-[3-[6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenyl]hydroxylamine
CID 89423887
N-[6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 52946107
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 59361906
N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 59789685
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 59789810
2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130336
3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 122507570

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid (CID 59789728) is 4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is MWRHPIPTXCOFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4/c29-16-3-1-2-13(11-16)19-18(21(30)31)20(26-22(25-19)28-6-8-32-9-7-28)24-15-4-5-17-14(10-15)12-23-27-17/h1-5,10-12,29H,6-9H2,(H,23,27)(H,30,31)(H,24,25,26).
What are the key properties of 4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 432.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 59789728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).