2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine

C22H25N7S — CID 139448880

IUPAC2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine
SMILESC=C(Nc1cnc(C)s1)c1n[nH]c2ccc(-c3cnn(C4CCN(C)CC4)c3)cc12
InChIInChI=1S/C22H25N7S/c1-14(25-21-12-23-15(2)30-21)22-19-10-16(4-5-20(19)26-27-22)17-11-24-29(13-17)18-6-8-28(3)9-7-18/h4-5,10-13,18,25H,1,6-9H2,2-3H3,(H,26,27)
InChIKeyFIVWRYJWPRANFO-UHFFFAOYSA-N
MW419.56 g/mol
LogP4.54
Rot. Bonds5

About 2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine

2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine (PubChem CID 139448880) has the molecular formula C22H25N7S and a molecular weight of 419.56 g/mol. Its IUPAC name is 2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine
PubChem CID139448880
Molecular FormulaC22H25N7S
Molecular Weight419.56 g/mol
Exact Mass419.19
IUPAC Name2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine
SMILESC=C(Nc1cnc(C)s1)c1n[nH]c2ccc(-c3cnn(C4CCN(C)CC4)c3)cc12
InChIInChI=1S/C22H25N7S/c1-14(25-21-12-23-15(2)30-21)22-19-10-16(4-5-20(19)26-27-22)17-11-24-29(13-17)18-6-8-28(3)9-7-18/h4-5,10-13,18,25H,1,6-9H2,2-3H3,(H,26,27)
InChIKeyFIVWRYJWPRANFO-UHFFFAOYSA-N
XLogP4.54
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 139448859
6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 139431536
N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 139448794
N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 142575205
N-[3-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]phenyl]buta-1,3-dien-2-yl]-1-methylpyrazol-4-amine
CID 153337112
N-[(4,4-difluorocyclohexyl)methyl]-1-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]ethenamine
CID 139448823
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856
N-[1-[6-[1-(methylamino)ethenyl]-3-pyridinyl]ethenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-amine
CID 166786946
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide
CID 138589819
N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene
CID 142333570
4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine
CID 170835984
4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline
CID 169231151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine?
The IUPAC name of 2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine (CID 139448880) is 2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine is C=C(Nc1cnc(C)s1)c1n[nH]c2ccc(-c3cnn(C4CCN(C)CC4)c3)cc12.
What is the InChIKey of 2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine?
The InChIKey is FIVWRYJWPRANFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7S/c1-14(25-21-12-23-15(2)30-21)22-19-10-16(4-5-20(19)26-27-22)17-11-24-29(13-17)18-6-8-28(3)9-7-18/h4-5,10-13,18,25H,1,6-9H2,2-3H3,(H,26,27).
What are the key properties of 2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine?
2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine has a molecular weight of 419.56 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 139448880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).