4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid

C22H20N6O3 — CID 59789671

IUPAC4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C22H20N6O3/c29-21(30)18-19(14-4-2-1-3-5-14)25-22(28-8-10-31-11-9-28)26-20(18)24-16-6-7-17-15(12-16)13-23-27-17/h1-7,12-13H,8-11H2,(H,23,27)(H,29,30)(H,24,25,26)
InChIKeyDWXYYASWSNJAGS-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.30
Rot. Bonds5

About 4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid

4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid (PubChem CID 59789671) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid
PubChem CID59789671
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C22H20N6O3/c29-21(30)18-19(14-4-2-1-3-5-14)25-22(28-8-10-31-11-9-28)26-20(18)24-16-6-7-17-15(12-16)13-23-27-17/h1-7,12-13H,8-11H2,(H,23,27)(H,29,30)(H,24,25,26)
InChIKeyDWXYYASWSNJAGS-UHFFFAOYSA-N
XLogP3.30
TPSA116.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid (CID 59789671) is 4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid is O=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of 4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid?
The InChIKey is DWXYYASWSNJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-21(30)18-19(14-4-2-1-3-5-14)25-22(28-8-10-31-11-9-28)26-20(18)24-16-6-7-17-15(12-16)13-23-27-17/h1-7,12-13H,8-11H2,(H,23,27)(H,29,30)(H,24,25,26).
What are the key properties of 4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid?
4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid has a molecular weight of 416.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-ylamino)-2-morpholin-4-yl-6-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 59789671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).