[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone

C22H21ClN6OS — CID 22259204

IUPAC[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2nc(-c3[nH]nc4c(C)c(Cl)ccc34)sc2-c2cccnc2)C1
InChIInChI=1S/C22H21ClN6OS/c1-12-16(23)6-5-15-17(12)27-28-18(15)21-26-19(20(31-21)13-4-3-8-25-10-13)22(30)29-9-7-14(11-29)24-2/h3-6,8,10,14,24H,7,9,11H2,1-2H3,(H,27,28)
InChIKeySKYOLSUWVPUGMZ-UHFFFAOYSA-N
MW452.97 g/mol
LogP4.14
Rot. Bonds4

About [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone

[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 22259204) has the molecular formula C22H21ClN6OS and a molecular weight of 452.97 g/mol. Its IUPAC name is [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID22259204
Molecular FormulaC22H21ClN6OS
Molecular Weight452.97 g/mol
Exact Mass452.12
IUPAC Name[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2nc(-c3[nH]nc4c(C)c(Cl)ccc34)sc2-c2cccnc2)C1
InChIInChI=1S/C22H21ClN6OS/c1-12-16(23)6-5-15-17(12)27-28-18(15)21-26-19(20(31-21)13-4-3-8-25-10-13)22(30)29-9-7-14(11-29)24-2/h3-6,8,10,14,24H,7,9,11H2,1-2H3,(H,27,28)
InChIKeySKYOLSUWVPUGMZ-UHFFFAOYSA-N
XLogP4.14
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone
CID 23590755
methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
CID 23590807
[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 22259239
2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole
CID 143017598
N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpyrrolidin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 23590827
[5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58582442
[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 22259160
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]methanone
CID 58582457
2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole
CID 143017487
1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone
CID 143017591
[2-[7-[[(3R)-3-(dimethylamino)-5-[3-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propyl]cyclohexyl]methyl]-2H-indazol-3-yl]-5-pyridin-3-yl-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 143017489
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone (CID 22259204) is [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone is CNC1CCN(C(=O)c2nc(-c3[nH]nc4c(C)c(Cl)ccc34)sc2-c2cccnc2)C1.
What is the InChIKey of [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is SKYOLSUWVPUGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6OS/c1-12-16(23)6-5-15-17(12)27-28-18(15)21-26-19(20(31-21)13-4-3-8-25-10-13)22(30)29-9-7-14(11-29)24-2/h3-6,8,10,14,24H,7,9,11H2,1-2H3,(H,27,28).
What are the key properties of [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone?
[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 452.97 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 22259204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).