N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C22H25N7OS — CID 118684958

IUPACN-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C2(C)CC2)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1
InChIInChI=1S/C22H25N7OS/c1-5-29-19(10-18(27-29)22(3)8-9-22)26-21-25-16(12-31-21)15-6-7-17(20(24-15)30-4)28-11-14(2)23-13-28/h6-7,10-13H,5,8-9H2,1-4H3,(H,25,26)
InChIKeyZLEUKGZKAVGDKU-UHFFFAOYSA-N
MW435.56 g/mol
LogP4.72
Rot. Bonds7

About N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 118684958) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID118684958
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC NameN-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C2(C)CC2)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1
InChIInChI=1S/C22H25N7OS/c1-5-29-19(10-18(27-29)22(3)8-9-22)26-21-25-16(12-31-21)15-6-7-17(20(24-15)30-4)28-11-14(2)23-13-28/h6-7,10-13H,5,8-9H2,1-4H3,(H,25,26)
InChIKeyZLEUKGZKAVGDKU-UHFFFAOYSA-N
XLogP4.72
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 86275630
N-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 162673781
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 162648939
1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-2-ol
CID 86275627
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391564
N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;2-(3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-1-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazole;bis(4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-(3-methyl-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-1-yl)-1,3-thiazole);4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[1-methyl-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-1,3-thiazol-2-amine
CID 160793332
6-(3,5-difluorophenyl)-2-methoxy-3-(4-methylimidazol-1-yl)pyridine
CID 171682304
3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane
CID 162065678
N-cyclohexyl-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391643
4-(3-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624681
4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624690

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 118684958) is N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is CCn1nc(C2(C)CC2)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1.
What is the InChIKey of N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is ZLEUKGZKAVGDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS/c1-5-29-19(10-18(27-29)22(3)8-9-22)26-21-25-16(12-31-21)15-6-7-17(20(24-15)30-4)28-11-14(2)23-13-28/h6-7,10-13H,5,8-9H2,1-4H3,(H,25,26).
What are the key properties of N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 435.56 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118684958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).