trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide

C23H24N6OS — CID 67425323

IUPACtrans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(N(C)C)n1
InChIInChI=1S/C23H24N6OS/c1-13-10-16(13)22(30)25-23-20(18-6-5-7-19(24-18)28(2)3)21(27-31-23)14-8-9-17-15(11-14)12-29(4)26-17/h5-9,11-13,16H,10H2,1-4H3,(H,25,30)/t13-,16-/m1/s1
InChIKeyWWWXSZYKLGLJCL-CZUORRHYSA-N
MW432.55 g/mol
LogP4.42
Rot. Bonds5

About trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 67425323) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID67425323
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Nametrans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(N(C)C)n1
InChIInChI=1S/C23H24N6OS/c1-13-10-16(13)22(30)25-23-20(18-6-5-7-19(24-18)28(2)3)21(27-31-23)14-8-9-17-15(11-14)12-29(4)26-17/h5-9,11-13,16H,10H2,1-4H3,(H,25,30)/t13-,16-/m1/s1
InChIKeyWWWXSZYKLGLJCL-CZUORRHYSA-N
XLogP4.42
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propylpyridin-2-yl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide
CID 71559428
2,2-dimethyl-3-phenyl-3-(1-pyridin-2-ylindazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 59252761
(1R,2R)-2-methyl-cyclopropanecarboxylic acid [4-(6-ethyl-pyridin-2-yl)-3-(2-methyl-2H-indazol-5-yl)-isothiazol-5-yl]-amide hydrochloride
CID 67103334
trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
CID 67103335
trans-(1R,2R)-N-[4-(6-cyclobutyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 67103353
(1R,2R)-2-methyl-cyclopropanecarboxylic acid [3-(2-methyl-2H-indazol-5-yl)-4-pyridin-2-yl-isothiazol-5-yl]-amide hydrochloride
CID 67103556
(1R,2R)-2-methyl-cyclopropanecarboxylic acid [3-(1H-indazol-5-yl)-4-(6-isopropyl-pyridin-2-yl)-isothiazol-5-yl]-amide hydrochloride
CID 67103662
N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride
CID 67424363
trans-(1R,2R)-2-methyl-N-[4-[6-(methylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
CID 67424812
trans-(1R,2R)-N-[4-(6-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 67425268
trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 67425408
trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-methyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
CID 67425733

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide (CID 67425323) is trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(N(C)C)n1.
What is the InChIKey of trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is WWWXSZYKLGLJCL-CZUORRHYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-13-10-16(13)22(30)25-23-20(18-6-5-7-19(24-18)28(2)3)21(27-31-23)14-8-9-17-15(11-14)12-29(4)26-17/h5-9,11-13,16H,10H2,1-4H3,(H,25,30)/t13-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[4-[6-(dimethylamino)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 67425323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).