N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride

C23H24ClN5OS — CID 67424363

IUPACN-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)C2CC2)n1.Cl
InChIInChI=1S/C23H23N5OS.ClH/c1-13(2)17-5-4-6-19(24-17)20-21(27-30-23(20)25-22(29)14-7-8-14)15-9-10-18-16(11-15)12-28(3)26-18;/h4-6,9-14H,7-8H2,1-3H3,(H,25,29);1H
InChIKeyIIXGMRPSJPKJQG-UHFFFAOYSA-N
MW454.00 g/mol
LogP5.65
Rot. Bonds5

About N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride

N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride (PubChem CID 67424363) has the molecular formula C23H24ClN5OS and a molecular weight of 454.00 g/mol. Its IUPAC name is N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride
PubChem CID67424363
Molecular FormulaC23H24ClN5OS
Molecular Weight454.00 g/mol
Exact Mass453.14
IUPAC NameN-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)C2CC2)n1.Cl
InChIInChI=1S/C23H23N5OS.ClH/c1-13(2)17-5-4-6-19(24-17)20-21(27-30-23(20)25-22(29)14-7-8-14)15-9-10-18-16(11-15)12-28(3)26-18;/h4-6,9-14H,7-8H2,1-3H3,(H,25,29);1H
InChIKeyIIXGMRPSJPKJQG-UHFFFAOYSA-N
XLogP5.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.00
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride (CID 67424363) is N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride is CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)C2CC2)n1.Cl.
What is the InChIKey of N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is IIXGMRPSJPKJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS.ClH/c1-13(2)17-5-4-6-19(24-17)20-21(27-30-23(20)25-22(29)14-7-8-14)15-9-10-18-16(11-15)12-28(3)26-18;/h4-6,9-14H,7-8H2,1-3H3,(H,25,29);1H.
What are the key properties of N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride?
N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 454.00 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylindazol-5-yl)-4-(6-propan-2-yl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 67424363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).