4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C22H24N6O3 — CID 175156448

IUPAC4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1cc2cnn(-c3cc(N4CCOCC4)ncn3)c2cc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C22H24N6O3/c1-15-10-17-13-25-28(21-12-20(23-14-24-21)26-6-8-31-9-7-26)19(17)11-18(15)16-2-4-27(5-3-16)22(29)30/h2,10-14H,3-9H2,1H3,(H,29,30)
InChIKeyVVFXQXBCPDZZBW-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.73
Rot. Bonds3

About 4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175156448) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175156448
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1cc2cnn(-c3cc(N4CCOCC4)ncn3)c2cc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C22H24N6O3/c1-15-10-17-13-25-28(21-12-20(23-14-24-21)26-6-8-31-9-7-26)19(17)11-18(15)16-2-4-27(5-3-16)22(29)30/h2,10-14H,3-9H2,1H3,(H,29,30)
InChIKeyVVFXQXBCPDZZBW-UHFFFAOYSA-N
XLogP2.73
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
ethyl 3-(3-(7-methyl-1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44227271
c-KIT/PDGFRalpha Inhibitor C31
CID 132585195
N-Methyl-N-[4-(4-morpholin-4-yl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]acetamide
CID 44606818
US10954240, Example 47
CID 118930313
CID 162641668
CID 162641668
Pyrazolo pyrimidine, 5s
CID 44520823
Isobutyl4-(7-amino-3-(3-morpholinophenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenylcarbamate
CID 46891275
4-[[3-[5-(2-Methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
CID 155522306
4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine
CID 155543644
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-methylmorpholine
CID 168271870
4-[2-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)quinazolin-4-yl]morpholine
CID 168273022

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175156448) is 4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is Cc1cc2cnn(-c3cc(N4CCOCC4)ncn3)c2cc1C1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is VVFXQXBCPDZZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-15-10-17-13-25-28(21-12-20(23-14-24-21)26-6-8-31-9-7-26)19(17)11-18(15)16-2-4-27(5-3-16)22(29)30/h2,10-14H,3-9H2,1H3,(H,29,30).
What are the key properties of 4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 420.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175156448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).