[2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C22H26N6O2S — CID 110093626

IUPAC[2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCc1cc(Nc2ncc(C)s2)cc(C2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1
InChIInChI=1S/C22H26N6O2S/c1-13-9-15(25-22-23-11-14(2)31-22)10-18(24-13)19-12-28(7-8-30-19)21(29)20-16-5-3-4-6-17(16)26-27-20/h9-11,19H,3-8,12H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyIKQFJCFDSWTOKU-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.71
Rot. Bonds4

About [2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 110093626) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is [2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID110093626
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name[2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCc1cc(Nc2ncc(C)s2)cc(C2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1
InChIInChI=1S/C22H26N6O2S/c1-13-9-15(25-22-23-11-14(2)31-22)10-18(24-13)19-12-28(7-8-30-19)21(29)20-16-5-3-4-6-17(16)26-27-20/h9-11,19H,3-8,12H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyIKQFJCFDSWTOKU-UHFFFAOYSA-N
XLogP3.71
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110093546
[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110118939
N-methyl-5-[2-methyl-6-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 127251364
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 124971507
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
cyclohexyl-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 124991788
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128964973
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94936140
1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl-[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95832706
(3-methoxyphenyl)-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 125013159
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 127251619
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]methanone
CID 127251620

Frequently Asked Questions

What is the IUPAC name of [2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 110093626) is [2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is Cc1cc(Nc2ncc(C)s2)cc(C2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1.
What is the InChIKey of [2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is IKQFJCFDSWTOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-13-9-15(25-22-23-11-14(2)31-22)10-18(24-13)19-12-28(7-8-30-19)21(29)20-16-5-3-4-6-17(16)26-27-20/h9-11,19H,3-8,12H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of [2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 438.56 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 110093626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).