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

C24H25N5OS — CID 71559428

IUPACtrans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide
SMILESCCCc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1
InChIInChI=1S/C24H25N5OS/c1-4-6-17-7-5-8-20(25-17)21-22(15-9-10-19-16(12-15)13-29(3)27-19)28-31-24(21)26-23(30)18-11-14(18)2/h5,7-10,12-14,18H,4,6,11H2,1-3H3,(H,26,30)/t14-,18-/m1/s1
InChIKeyDMJNZMXZSQWBRT-RDTXWAMCSA-N
MW431.57 g/mol
LogP5.31
Rot. Bonds6

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

trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide (PubChem CID 71559428) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide
PubChem CID71559428
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Nametrans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide
SMILESCCCc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1
InChIInChI=1S/C24H25N5OS/c1-4-6-17-7-5-8-20(25-17)21-22(15-9-10-19-16(12-15)13-29(3)27-19)28-31-24(21)26-23(30)18-11-14(18)2/h5,7-10,12-14,18H,4,6,11H2,1-3H3,(H,26,30)/t14-,18-/m1/s1
InChIKeyDMJNZMXZSQWBRT-RDTXWAMCSA-N
XLogP5.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 55.31
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-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide (CID 71559428) is trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide is CCCc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide?
The InChIKey is DMJNZMXZSQWBRT-RDTXWAMCSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-4-6-17-7-5-8-20(25-17)21-22(15-9-10-19-16(12-15)13-29(3)27-19)28-31-24(21)26-23(30)18-11-14(18)2/h5,7-10,12-14,18H,4,6,11H2,1-3H3,(H,26,30)/t14-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 431.57 g/mol, XLogP of 5.31, 6 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-propyl-2-pyridinyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71559428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).