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

C24H26ClN5OS — CID 67103335

IUPACtrans-(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
SMILESCC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
InChIInChI=1S/C24H25N5OS.ClH/c1-13(2)18-6-5-7-20(25-18)21-22(15-8-9-19-16(11-15)12-29(4)27-19)28-31-24(21)26-23(30)17-10-14(17)3;/h5-9,11-14,17H,10H2,1-4H3,(H,26,30);1H/t14-,17-;/m1./s1
InChIKeyAVDWDZWWKUBPKK-SATBOSKTSA-N
MW468.03 g/mol
LogP5.90
Rot. Bonds5

About 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

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 (PubChem CID 67103335) has the molecular formula C24H26ClN5OS and a molecular weight of 468.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrans-(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
PubChem CID67103335
Molecular FormulaC24H26ClN5OS
Molecular Weight468.03 g/mol
Exact Mass467.15
IUPAC Nametrans-(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
SMILESCC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
InChIInChI=1S/C24H25N5OS.ClH/c1-13(2)18-6-5-7-20(25-18)21-22(15-8-9-19-16(11-15)12-29(4)27-19)28-31-24(21)26-23(30)17-10-14(17)3;/h5-9,11-14,17H,10H2,1-4H3,(H,26,30);1H/t14-,17-;/m1./s1
InChIKeyAVDWDZWWKUBPKK-SATBOSKTSA-N
XLogP5.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.03
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl.
What is the InChIKey of 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?
The InChIKey is AVDWDZWWKUBPKK-SATBOSKTSA-N. The full InChI is InChI=1S/C24H25N5OS.ClH/c1-13(2)18-6-5-7-20(25-18)21-22(15-8-9-19-16(11-15)12-29(4)27-19)28-31-24(21)26-23(30)17-10-14(17)3;/h5-9,11-14,17H,10H2,1-4H3,(H,26,30);1H/t14-,17-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 468.03 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67103335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).