N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide

C22H28N6O2 — CID 123930185

IUPACN-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCC1CCN(c2nc(C(=O)Nc3cc4cn(C)nc4cc3N3CCCCC3)co2)C1
InChIInChI=1S/C22H28N6O2/c1-15-6-9-28(12-15)22-24-19(14-30-22)21(29)23-18-10-16-13-26(2)25-17(16)11-20(18)27-7-4-3-5-8-27/h10-11,13-15H,3-9,12H2,1-2H3,(H,23,29)
InChIKeySUPYIQFBYMZYGG-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.65
Rot. Bonds4

About N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide

N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide (PubChem CID 123930185) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
PubChem CID123930185
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCC1CCN(c2nc(C(=O)Nc3cc4cn(C)nc4cc3N3CCCCC3)co2)C1
InChIInChI=1S/C22H28N6O2/c1-15-6-9-28(12-15)22-24-19(14-30-22)21(29)23-18-10-16-13-26(2)25-17(16)11-20(18)27-7-4-3-5-8-27/h10-11,13-15H,3-9,12H2,1-2H3,(H,23,29)
InChIKeySUPYIQFBYMZYGG-UHFFFAOYSA-N
XLogP3.65
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
CID 126480642
6-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)pyridine-2-carboxamide
CID 118233202
2-[2-(methylamino)-4-pyridinyl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118226407
2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
CID 118226401
4-(6-amino-3-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)pyridine-2-carboxamide;hydrochloride
CID 135221404
N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
CID 123683281
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
CID 174334214
N-[6-(cyclohexylamino)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 144883766
N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156302
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride
CID 118226741
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 164567526
N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 118608416

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide (CID 123930185) is N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide is CC1CCN(c2nc(C(=O)Nc3cc4cn(C)nc4cc3N3CCCCC3)co2)C1.
What is the InChIKey of N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is SUPYIQFBYMZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-15-6-9-28(12-15)22-24-19(14-30-22)21(29)23-18-10-16-13-26(2)25-17(16)11-20(18)27-7-4-3-5-8-27/h10-11,13-15H,3-9,12H2,1-2H3,(H,23,29).
What are the key properties of N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide?
N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123930185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).