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

C24H26N6OS — CID 11442222

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2sc(-c3[nH]nc4c(C)cccc34)nc2C(=O)N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C24H26N6OS/c1-14-6-5-7-18-19(14)27-28-20(18)23-26-21(22(32-23)16-9-8-15(2)25-12-16)24(31)30-11-10-17(13-30)29(3)4/h5-9,12,17H,10-11,13H2,1-4H3,(H,27,28)
InChIKeyGQRLGBWQFQUXLL-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.14
Rot. Bonds4

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

[3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone (PubChem CID 11442222) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
PubChem CID11442222
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2sc(-c3[nH]nc4c(C)cccc34)nc2C(=O)N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C24H26N6OS/c1-14-6-5-7-18-19(14)27-28-20(18)23-26-21(22(32-23)16-9-8-15(2)25-12-16)24(31)30-11-10-17(13-30)29(3)4/h5-9,12,17H,10-11,13H2,1-4H3,(H,27,28)
InChIKeyGQRLGBWQFQUXLL-UHFFFAOYSA-N
XLogP4.14
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone (CID 11442222) is [3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone is Cc1ccc(-c2sc(-c3[nH]nc4c(C)cccc34)nc2C(=O)N2CCC(N(C)C)C2)cn1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is GQRLGBWQFQUXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-14-6-5-7-18-19(14)27-28-20(18)23-26-21(22(32-23)16-9-8-15(2)25-12-16)24(31)30-11-10-17(13-30)29(3)4/h5-9,12,17H,10-11,13H2,1-4H3,(H,27,28).
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 446.58 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 11442222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).