N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

C22H21N7OS — CID 53187293

IUPACN-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1
InChIInChI=1S/C22H21N7OS/c30-20(26-11-15-2-1-7-23-10-15)16-5-8-29(9-6-16)22-28-19-4-3-18(27-21(19)31-22)17-12-24-14-25-13-17/h1-4,7,10,12-14,16H,5-6,8-9,11H2,(H,26,30)
InChIKeyLUIAJKFGXBVKKW-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.08
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 53187293) has the molecular formula C22H21N7OS and a molecular weight of 431.53 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID53187293
Molecular FormulaC22H21N7OS
Molecular Weight431.53 g/mol
Exact Mass431.15
IUPAC NameN-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1
InChIInChI=1S/C22H21N7OS/c30-20(26-11-15-2-1-7-23-10-15)16-5-8-29(9-6-16)22-28-19-4-3-18(27-21(19)31-22)17-12-24-14-25-13-17/h1-4,7,10,12-14,16H,5-6,8-9,11H2,(H,26,30)
InChIKeyLUIAJKFGXBVKKW-UHFFFAOYSA-N
XLogP3.08
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187286
N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187362
piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 53187334
N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187296
1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 20906841
N-[(4-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952038
N-ethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187270
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
N-[3-(dimethylamino)propyl]-1-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187253
N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
CID 133371811
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 53187293) is N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is LUIAJKFGXBVKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7OS/c30-20(26-11-15-2-1-7-23-10-15)16-5-8-29(9-6-16)22-28-19-4-3-18(27-21(19)31-22)17-12-24-14-25-13-17/h1-4,7,10,12-14,16H,5-6,8-9,11H2,(H,26,30).
What are the key properties of N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53187293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).