(3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

C17H19N7OS — CID 52907670

IUPAC(3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)sn1
InChIInChI=1S/C17H19N7OS/c1-12-10-16(26-22-12)19-17(25)13-4-2-8-23(11-13)14-5-6-15(21-20-14)24-9-3-7-18-24/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,19,25)/t13-/m1/s1
InChIKeyVEKVZHWDVVVTFO-CYBMUJFWSA-N
MW369.45 g/mol
LogP2.28
Rot. Bonds4

About (3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

(3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 52907670) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is (3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID52907670
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name(3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)sn1
InChIInChI=1S/C17H19N7OS/c1-12-10-16(26-22-12)19-17(25)13-4-2-8-23(11-13)14-5-6-15(21-20-14)24-9-3-7-18-24/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,19,25)/t13-/m1/s1
InChIKeyVEKVZHWDVVVTFO-CYBMUJFWSA-N
XLogP2.28
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 52907670) is (3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)sn1.
What is the InChIKey of (3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is VEKVZHWDVVVTFO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-12-10-16(26-22-12)19-17(25)13-4-2-8-23(11-13)14-5-6-15(21-20-14)24-9-3-7-18-24/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,19,25)/t13-/m1/s1.
What are the key properties of (3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
(3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52907670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).