4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid

C24H24N6O5 — CID 59789672

IUPAC4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1cccc(OCCO)c1
InChIInChI=1S/C24H24N6O5/c31-8-11-35-18-3-1-2-15(13-18)21-20(23(32)33)22(28-24(27-21)30-6-9-34-10-7-30)26-17-4-5-19-16(12-17)14-25-29-19/h1-5,12-14,31H,6-11H2,(H,25,29)(H,32,33)(H,26,27,28)
InChIKeyHNEULMOXRXQJET-UHFFFAOYSA-N
MW476.49 g/mol
LogP2.67
Rot. Bonds8

About 4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid

4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 59789672) has the molecular formula C24H24N6O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid
PubChem CID59789672
Molecular FormulaC24H24N6O5
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Name4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1cccc(OCCO)c1
InChIInChI=1S/C24H24N6O5/c31-8-11-35-18-3-1-2-15(13-18)21-20(23(32)33)22(28-24(27-21)30-6-9-34-10-7-30)26-17-4-5-19-16(12-17)14-25-29-19/h1-5,12-14,31H,6-11H2,(H,25,29)(H,32,33)(H,26,27,28)
InChIKeyHNEULMOXRXQJET-UHFFFAOYSA-N
XLogP2.67
TPSA145.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 59789728
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
2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone
CID 90095818
4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11384244
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72879757
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide
CID 11950700

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid (CID 59789672) is 4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1cccc(OCCO)c1.
What is the InChIKey of 4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is HNEULMOXRXQJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O5/c31-8-11-35-18-3-1-2-15(13-18)21-20(23(32)33)22(28-24(27-21)30-6-9-34-10-7-30)26-17-4-5-19-16(12-17)14-25-29-19/h1-5,12-14,31H,6-11H2,(H,25,29)(H,32,33)(H,26,27,28).
What are the key properties of 4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 476.49 g/mol, XLogP of 2.67, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethoxy)phenyl]-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 59789672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).