trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride

C23H24ClN5OS — CID 67103662

About trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride

trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 67103662) has the molecular formula C23H24ClN5OS and a molecular weight of 454.00 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
• PubChem CID: 67103662
• Molecular Formula: C23H24ClN5OS
• Molecular Weight: 454.00 g/mol
• Exact Mass: 453.14
• IUPAC Name: trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
• SMILES: CC(C)c1cccc(-c2c(-c3ccc4[nH]ncc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
• InChI: InChI=1S/C23H23N5OS.ClH/c1-12(2)17-5-4-6-19(25-17)20-21(14-7-8-18-15(10-14)11-24-27-18)28-30-23(20)26-22(29)16-9-13(16)3;/h4-8,10-13,16H,9H2,1-3H3,(H,24,27)(H,26,29);1H/t13-,16-;/m1./s1
• InChIKey: XHZNXPLHHYKADY-OALZAMAHSA-N
• XLogP: 5.89
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.00
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?

The IUPAC name of trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride (CID 67103662) is trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride.

What is the SMILES notation for trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?

The canonical SMILES for trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride is CC(C)c1cccc(-c2c(-c3ccc4[nH]ncc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl.

What is the InChIKey of trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?

The InChIKey is XHZNXPLHHYKADY-OALZAMAHSA-N. The full InChI is InChI=1S/C23H23N5OS.ClH/c1-12(2)17-5-4-6-19(25-17)20-21(14-7-8-18-15(10-14)11-24-27-18)28-30-23(20)26-22(29)16-9-13(16)3;/h4-8,10-13,16H,9H2,1-3H3,(H,24,27)(H,26,29);1H/t13-,16-;/m1./s1.

What are the key properties of trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?

trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 454.00 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-N-[3-(1H-indazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67103662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).