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

C22H22ClN5OS — CID 67425733

IUPACtrans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-methyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
InChIInChI=1S/C22H21N5OS.ClH/c1-12-9-16(12)21(28)24-22-19(18-6-4-5-13(2)23-18)20(26-29-22)14-7-8-17-15(10-14)11-27(3)25-17;/h4-8,10-12,16H,9H2,1-3H3,(H,24,28);1H/t12-,16-;/m1./s1
InChIKeyHFUQREXAYXUWTP-VQZRABBESA-N
MW439.97 g/mol
LogP5.08
Rot. Bonds4

About 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

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 (PubChem CID 67425733) has the molecular formula C22H22ClN5OS and a molecular weight of 439.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-methyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID67425733
Molecular FormulaC22H22ClN5OS
Molecular Weight439.97 g/mol
Exact Mass439.12
IUPAC Nametrans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-methyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
InChIInChI=1S/C22H21N5OS.ClH/c1-12-9-16(12)21(28)24-22-19(18-6-4-5-13(2)23-18)20(26-29-22)14-7-8-17-15(10-14)11-27(3)25-17;/h4-8,10-12,16H,9H2,1-3H3,(H,24,28);1H/t12-,16-;/m1./s1
InChIKeyHFUQREXAYXUWTP-VQZRABBESA-N
XLogP5.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.97
LogP ≤ 55.08
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-methyl-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-methyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride (CID 67425733) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(-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-methyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is HFUQREXAYXUWTP-VQZRABBESA-N. The full InChI is InChI=1S/C22H21N5OS.ClH/c1-12-9-16(12)21(28)24-22-19(18-6-4-5-13(2)23-18)20(26-29-22)14-7-8-17-15(10-14)11-27(3)25-17;/h4-8,10-12,16H,9H2,1-3H3,(H,24,28);1H/t12-,16-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 439.97 g/mol, XLogP of 5.08, 4 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-methyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67425733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).