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

C17H19N7OS — CID 52907671

IUPAC(3S)-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-/m0/s1
InChIKeyVEKVZHWDVVVTFO-ZDUSSCGKSA-N
MW369.45 g/mol
LogP2.28
Rot. Bonds4

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

(3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 52907671) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID52907671
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name(3S)-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-/m0/s1
InChIKeyVEKVZHWDVVVTFO-ZDUSSCGKSA-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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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1H-pyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 52993004
1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-3-carboxamide
CID 56724499
N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 56764961
N-(3-methyl-5-isothiazolyl)-(S)-1-[6-(1H-1,2,4-triazol-1-yl)-3-pyridazinyl]-3-piperidinecarboxamide
CID 97428830
1-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)-N-(4-methylthiazol-2-yl)piperidine-3-carboxamide
CID 52992976
1-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-3-carboxamide
CID 71810934
1-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-4-carboxamide
CID 52907587
(3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907670
(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907674
(3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907675
1-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-3-carboxamide
CID 52993002
N-(cyclopropylmethyl)-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 71874964

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 52907671) is (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-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 (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is VEKVZHWDVVVTFO-ZDUSSCGKSA-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-/m0/s1.
What are the key properties of (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
(3S)-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 (3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52907671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).